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)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio2_SimRN-5b3226aa/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 165 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
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 165 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
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 165.000000 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)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio2_SimRN-5b3226aa/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 165 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
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 165 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
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 165.000000 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)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio2_SimRN-5b3226aa/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 165 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
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 165 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
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 165.000000 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)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio2_SimRN-5b3226aa/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 165 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
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 165 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
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 165.000000 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)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio2_SimRN-5b3226aa/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 165 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
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 165 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
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 165.000000 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)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio2_SimRN-5b3226aa/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 165 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
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 165 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
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 165.000000 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)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio2_SimRN-5b3226aa/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 165 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
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 165 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
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 165.000000 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)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio2_SimRN-5b3226aa/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 165 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
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 165 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
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 165.000000 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)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio2_SimRN-5b3226aa/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 165 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
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 165 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
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 165.000000 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)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio2_SimRN-5b3226aa/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 165 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
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 165 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
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 165.000000 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: -1926.762943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.762943 (E_RNA)
where:
Base-Base interactions energy: -1349.975
where: short stacking energy: -542.112
Base-Backbone interact. energy: -5.401
local terms energy: -571.386732
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -138.192
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -148.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1926.762943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.762943 (E_RNA)
where:
Base-Base interactions energy: -1349.975
where: short stacking energy: -542.112
Base-Backbone interact. energy: -5.401
local terms energy: -571.386732
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -138.192
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -148.184
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -1926.762943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.762943 (E_RNA)
where:
Base-Base interactions energy: -1349.975
where: short stacking energy: -542.112
Base-Backbone interact. energy: -5.401
local terms energy: -571.386732
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -138.192
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -148.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1926.762943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.762943 (E_RNA)
where:
Base-Base interactions energy: -1349.975
where: short stacking energy: -542.112
Base-Backbone interact. energy: -5.401
local terms energy: -571.386732
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -138.192
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -148.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1926.762943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.762943 (E_RNA)
where:
Base-Base interactions energy: -1349.975
where: short stacking energy: -542.112
Base-Backbone interact. energy: -5.401
local terms energy: -571.386732
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -138.192
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -148.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1926.762943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.762943 (E_RNA)
where:
Base-Base interactions energy: -1349.975
where: short stacking energy: -542.112
Base-Backbone interact. energy: -5.401
local terms energy: -571.386732
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -138.192
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -148.184
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1926.762943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.762943 (E_RNA)
where:
Base-Base interactions energy: -1349.975
where: short stacking energy: -542.112
Base-Backbone interact. energy: -5.401
local terms energy: -571.386732
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -138.192
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -148.184
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: 1
Temperature: 1.250000
Total energy: -1926.762943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.762943 (E_RNA)
where:
Base-Base interactions energy: -1349.975
where: short stacking energy: -542.112
Base-Backbone interact. energy: -5.401
local terms energy: -571.386732
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -138.192
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -148.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -1926.762943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.762943 (E_RNA)
where:
Base-Base interactions energy: -1349.975
where: short stacking energy: -542.112
Base-Backbone interact. energy: -5.401
local terms energy: -571.386732
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -138.192
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -148.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -1926.762943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.762943 (E_RNA)
where:
Base-Base interactions energy: -1349.975
where: short stacking energy: -542.112
Base-Backbone interact. energy: -5.401
local terms energy: -571.386732
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -138.192
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -148.184
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1939.848798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.848798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.848798 (E_RNA)
where:
Base-Base interactions energy: -1362.891
where: short stacking energy: -545.695
Base-Backbone interact. energy: -6.348
local terms energy: -570.609564
where:
bonds (distance) C4'-P energy: -88.159
bonds (distance) P-C4' energy: -134.124
flat angles C4'-P-C4' energy: -119.244
flat angles P-C4'-P energy: -80.702
tors. eta vs tors. theta energy: -148.380
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1938.878481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.878481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.878481 (E_RNA)
where:
Base-Base interactions energy: -1359.549
where: short stacking energy: -544.708
Base-Backbone interact. energy: -5.406
local terms energy: -573.923529
where:
bonds (distance) C4'-P energy: -88.687
bonds (distance) P-C4' energy: -136.949
flat angles C4'-P-C4' energy: -118.470
flat angles P-C4'-P energy: -81.217
tors. eta vs tors. theta energy: -148.600
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1938.965410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.965410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.965410 (E_RNA)
where:
Base-Base interactions energy: -1361.481
where: short stacking energy: -545.956
Base-Backbone interact. energy: -6.296
local terms energy: -571.188315
where:
bonds (distance) C4'-P energy: -85.967
bonds (distance) P-C4' energy: -136.992
flat angles C4'-P-C4' energy: -118.797
flat angles P-C4'-P energy: -80.029
tors. eta vs tors. theta energy: -149.403
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1939.361165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.361165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.361165 (E_RNA)
where:
Base-Base interactions energy: -1361.367
where: short stacking energy: -544.750
Base-Backbone interact. energy: -6.297
local terms energy: -571.696990
where:
bonds (distance) C4'-P energy: -86.700
bonds (distance) P-C4' energy: -136.735
flat angles C4'-P-C4' energy: -118.713
flat angles P-C4'-P energy: -79.944
tors. eta vs tors. theta energy: -149.605
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1940.199103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.199103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.199103 (E_RNA)
where:
Base-Base interactions energy: -1361.179
where: short stacking energy: -545.062
Base-Backbone interact. energy: -6.314
local terms energy: -572.705945
where:
bonds (distance) C4'-P energy: -87.681
bonds (distance) P-C4' energy: -136.201
flat angles C4'-P-C4' energy: -118.640
flat angles P-C4'-P energy: -80.560
tors. eta vs tors. theta energy: -149.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1933.326790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.326790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.326790 (E_RNA)
where:
Base-Base interactions energy: -1356.953
where: short stacking energy: -542.548
Base-Backbone interact. energy: -6.422
local terms energy: -569.951931
where:
bonds (distance) C4'-P energy: -86.874
bonds (distance) P-C4' energy: -135.925
flat angles C4'-P-C4' energy: -117.759
flat angles P-C4'-P energy: -80.492
tors. eta vs tors. theta energy: -148.903
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1931.443662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.443662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.443662 (E_RNA)
where:
Base-Base interactions energy: -1355.620
where: short stacking energy: -542.194
Base-Backbone interact. energy: -6.609
local terms energy: -569.214786
where:
bonds (distance) C4'-P energy: -86.518
bonds (distance) P-C4' energy: -135.667
flat angles C4'-P-C4' energy: -117.759
flat angles P-C4'-P energy: -80.725
tors. eta vs tors. theta energy: -148.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1930.149017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.149017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.149017 (E_RNA)
where:
Base-Base interactions energy: -1355.263
where: short stacking energy: -542.114
Base-Backbone interact. energy: -6.341
local terms energy: -568.544810
where:
bonds (distance) C4'-P energy: -86.518
bonds (distance) P-C4' energy: -135.667
flat angles C4'-P-C4' energy: -117.456
flat angles P-C4'-P energy: -80.394
tors. eta vs tors. theta energy: -148.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1928.197127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.197127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.197127 (E_RNA)
where:
Base-Base interactions energy: -1352.941
where: short stacking energy: -540.327
Base-Backbone interact. energy: -6.374
local terms energy: -568.882385
where:
bonds (distance) C4'-P energy: -85.421
bonds (distance) P-C4' energy: -135.570
flat angles C4'-P-C4' energy: -117.731
flat angles P-C4'-P energy: -80.862
tors. eta vs tors. theta energy: -149.298
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1927.893370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.893370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.893370 (E_RNA)
where:
Base-Base interactions energy: -1351.634
where: short stacking energy: -541.989
Base-Backbone interact. energy: -5.401
local terms energy: -570.858227
where:
bonds (distance) C4'-P energy: -85.487
bonds (distance) P-C4' energy: -137.505
flat angles C4'-P-C4' energy: -117.716
flat angles P-C4'-P energy: -82.014
tors. eta vs tors. theta energy: -148.136
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1899.733004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.733004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.733004 (E_RNA)
where:
Base-Base interactions energy: -1341.755
where: short stacking energy: -500.075
Base-Backbone interact. energy: -4.814
local terms energy: -553.164727
where:
bonds (distance) C4'-P energy: -96.869
bonds (distance) P-C4' energy: -110.991
flat angles C4'-P-C4' energy: -120.827
flat angles P-C4'-P energy: -79.150
tors. eta vs tors. theta energy: -145.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1857.034895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.034895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.034895 (E_RNA)
where:
Base-Base interactions energy: -1333.300
where: short stacking energy: -512.529
Base-Backbone interact. energy: -3.780
local terms energy: -519.954851
where:
bonds (distance) C4'-P energy: -105.587
bonds (distance) P-C4' energy: -87.581
flat angles C4'-P-C4' energy: -115.632
flat angles P-C4'-P energy: -67.358
tors. eta vs tors. theta energy: -143.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1781.197583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.197583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.197583 (E_RNA)
where:
Base-Base interactions energy: -1255.282
where: short stacking energy: -501.667
Base-Backbone interact. energy: -0.152
local terms energy: -525.763368
where:
bonds (distance) C4'-P energy: -100.309
bonds (distance) P-C4' energy: -102.140
flat angles C4'-P-C4' energy: -103.925
flat angles P-C4'-P energy: -72.586
tors. eta vs tors. theta energy: -146.804
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1737.717944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.717944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.717944 (E_RNA)
where:
Base-Base interactions energy: -1257.890
where: short stacking energy: -493.374
Base-Backbone interact. energy: -0.591
local terms energy: -479.237125
where:
bonds (distance) C4'-P energy: -81.937
bonds (distance) P-C4' energy: -87.523
flat angles C4'-P-C4' energy: -107.019
flat angles P-C4'-P energy: -65.431
tors. eta vs tors. theta energy: -137.326
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1659.036752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.036752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.036752 (E_RNA)
where:
Base-Base interactions energy: -1156.365
where: short stacking energy: -456.329
Base-Backbone interact. energy: -2.479
local terms energy: -500.192739
where:
bonds (distance) C4'-P energy: -85.109
bonds (distance) P-C4' energy: -105.300
flat angles C4'-P-C4' energy: -107.774
flat angles P-C4'-P energy: -71.627
tors. eta vs tors. theta energy: -130.382
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: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1673.585460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.585460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.585460 (E_RNA)
where:
Base-Base interactions energy: -1205.065
where: short stacking energy: -479.481
Base-Backbone interact. energy: -2.661
local terms energy: -465.859448
where:
bonds (distance) C4'-P energy: -87.664
bonds (distance) P-C4' energy: -85.114
flat angles C4'-P-C4' energy: -100.437
flat angles P-C4'-P energy: -63.539
tors. eta vs tors. theta energy: -129.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1577.795508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.795508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.795508 (E_RNA)
where:
Base-Base interactions energy: -1117.461
where: short stacking energy: -430.739
Base-Backbone interact. energy: -4.052
local terms energy: -456.282203
where:
bonds (distance) C4'-P energy: -92.244
bonds (distance) P-C4' energy: -94.807
flat angles C4'-P-C4' energy: -95.151
flat angles P-C4'-P energy: -60.817
tors. eta vs tors. theta energy: -113.263
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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1456.893562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.893562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.893562 (E_RNA)
where:
Base-Base interactions energy: -1053.640
where: short stacking energy: -419.879
Base-Backbone interact. energy: 1.059
local terms energy: -404.311639
where:
bonds (distance) C4'-P energy: -73.237
bonds (distance) P-C4' energy: -78.582
flat angles C4'-P-C4' energy: -96.203
flat angles P-C4'-P energy: -64.061
tors. eta vs tors. theta energy: -92.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1361.058418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.058418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.058418 (E_RNA)
where:
Base-Base interactions energy: -944.995
where: short stacking energy: -356.666
Base-Backbone interact. energy: -2.024
local terms energy: -414.039383
where:
bonds (distance) C4'-P energy: -94.237
bonds (distance) P-C4' energy: -76.722
flat angles C4'-P-C4' energy: -92.008
flat angles P-C4'-P energy: -59.900
tors. eta vs tors. theta energy: -91.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -1220.570825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.570825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.570825 (E_RNA)
where:
Base-Base interactions energy: -869.229
where: short stacking energy: -339.888
Base-Backbone interact. energy: 2.315
local terms energy: -353.657501
where:
bonds (distance) C4'-P energy: -71.788
bonds (distance) P-C4' energy: -69.564
flat angles C4'-P-C4' energy: -77.101
flat angles P-C4'-P energy: -54.244
tors. eta vs tors. theta energy: -80.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1890.780067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.780067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.780067 (E_RNA)
where:
Base-Base interactions energy: -1313.043
where: short stacking energy: -514.781
Base-Backbone interact. energy: -4.686
local terms energy: -573.051038
where:
bonds (distance) C4'-P energy: -95.999
bonds (distance) P-C4' energy: -120.740
flat angles C4'-P-C4' energy: -129.908
flat angles P-C4'-P energy: -77.209
tors. eta vs tors. theta energy: -149.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1854.525530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.525530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.525530 (E_RNA)
where:
Base-Base interactions energy: -1316.374
where: short stacking energy: -510.877
Base-Backbone interact. energy: -4.407
local terms energy: -533.744181
where:
bonds (distance) C4'-P energy: -103.424
bonds (distance) P-C4' energy: -108.214
flat angles C4'-P-C4' energy: -117.206
flat angles P-C4'-P energy: -64.615
tors. eta vs tors. theta energy: -140.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1735.830060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.830060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.830060 (E_RNA)
where:
Base-Base interactions energy: -1225.709
where: short stacking energy: -485.420
Base-Backbone interact. energy: -4.841
local terms energy: -505.279878
where:
bonds (distance) C4'-P energy: -87.301
bonds (distance) P-C4' energy: -89.835
flat angles C4'-P-C4' energy: -114.546
flat angles P-C4'-P energy: -76.658
tors. eta vs tors. theta energy: -136.940
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1758.291390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.291390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.291390 (E_RNA)
where:
Base-Base interactions energy: -1248.185
where: short stacking energy: -492.545
Base-Backbone interact. energy: -0.680
local terms energy: -509.426324
where:
bonds (distance) C4'-P energy: -91.738
bonds (distance) P-C4' energy: -99.441
flat angles C4'-P-C4' energy: -115.736
flat angles P-C4'-P energy: -69.312
tors. eta vs tors. theta energy: -133.199
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: 4
Temperature: 1.100000
Total energy: -1626.293907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.293907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.293907 (E_RNA)
where:
Base-Base interactions energy: -1150.014
where: short stacking energy: -465.586
Base-Backbone interact. energy: -1.279
local terms energy: -475.001313
where:
bonds (distance) C4'-P energy: -83.673
bonds (distance) P-C4' energy: -79.823
flat angles C4'-P-C4' energy: -109.561
flat angles P-C4'-P energy: -65.799
tors. eta vs tors. theta energy: -136.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1650.269860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.269860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.269860 (E_RNA)
where:
Base-Base interactions energy: -1164.430
where: short stacking energy: -470.744
Base-Backbone interact. energy: -3.393
local terms energy: -482.446872
where:
bonds (distance) C4'-P energy: -81.832
bonds (distance) P-C4' energy: -105.591
flat angles C4'-P-C4' energy: -90.675
flat angles P-C4'-P energy: -65.400
tors. eta vs tors. theta energy: -138.949
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: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1555.781683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.781683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.781683 (E_RNA)
where:
Base-Base interactions energy: -1099.869
where: short stacking energy: -435.396
Base-Backbone interact. energy: 2.372
local terms energy: -458.284608
where:
bonds (distance) C4'-P energy: -90.948
bonds (distance) P-C4' energy: -89.467
flat angles C4'-P-C4' energy: -96.350
flat angles P-C4'-P energy: -71.608
tors. eta vs tors. theta energy: -109.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1427.154789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.154789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.154789 (E_RNA)
where:
Base-Base interactions energy: -995.644
where: short stacking energy: -397.331
Base-Backbone interact. energy: -1.380
local terms energy: -430.130928
where:
bonds (distance) C4'-P energy: -78.563
bonds (distance) P-C4' energy: -93.681
flat angles C4'-P-C4' energy: -95.753
flat angles P-C4'-P energy: -63.468
tors. eta vs tors. theta energy: -98.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1279.858618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.858618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.858618 (E_RNA)
where:
Base-Base interactions energy: -883.581
where: short stacking energy: -367.789
Base-Backbone interact. energy: 0.714
local terms energy: -396.991220
where:
bonds (distance) C4'-P energy: -68.882
bonds (distance) P-C4' energy: -93.931
flat angles C4'-P-C4' energy: -93.631
flat angles P-C4'-P energy: -49.749
tors. eta vs tors. theta energy: -90.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -1235.968690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.968690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.968690 (E_RNA)
where:
Base-Base interactions energy: -863.233
where: short stacking energy: -332.869
Base-Backbone interact. energy: -0.926
local terms energy: -371.809681
where:
bonds (distance) C4'-P energy: -83.486
bonds (distance) P-C4' energy: -78.469
flat angles C4'-P-C4' energy: -71.099
flat angles P-C4'-P energy: -49.967
tors. eta vs tors. theta energy: -88.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1899.652079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.652079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.652079 (E_RNA)
where:
Base-Base interactions energy: -1360.468
where: short stacking energy: -515.743
Base-Backbone interact. energy: -3.650
local terms energy: -535.533487
where:
bonds (distance) C4'-P energy: -101.302
bonds (distance) P-C4' energy: -92.465
flat angles C4'-P-C4' energy: -110.628
flat angles P-C4'-P energy: -82.667
tors. eta vs tors. theta energy: -148.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1838.021231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.021231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.021231 (E_RNA)
where:
Base-Base interactions energy: -1318.777
where: short stacking energy: -514.600
Base-Backbone interact. energy: -1.039
local terms energy: -518.205876
where:
bonds (distance) C4'-P energy: -99.258
bonds (distance) P-C4' energy: -104.691
flat angles C4'-P-C4' energy: -101.419
flat angles P-C4'-P energy: -67.541
tors. eta vs tors. theta energy: -145.296
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: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1716.333322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.333322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.333322 (E_RNA)
where:
Base-Base interactions energy: -1206.114
where: short stacking energy: -475.331
Base-Backbone interact. energy: -3.050
local terms energy: -507.168943
where:
bonds (distance) C4'-P energy: -113.838
bonds (distance) P-C4' energy: -78.494
flat angles C4'-P-C4' energy: -113.137
flat angles P-C4'-P energy: -66.495
tors. eta vs tors. theta energy: -135.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1756.046144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.046144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.046144 (E_RNA)
where:
Base-Base interactions energy: -1271.711
where: short stacking energy: -488.008
Base-Backbone interact. energy: 4.073
local terms energy: -488.407861
where:
bonds (distance) C4'-P energy: -81.154
bonds (distance) P-C4' energy: -98.627
flat angles C4'-P-C4' energy: -108.834
flat angles P-C4'-P energy: -61.652
tors. eta vs tors. theta energy: -138.141
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: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1636.207551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.207551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.207551 (E_RNA)
where:
Base-Base interactions energy: -1144.687
where: short stacking energy: -444.117
Base-Backbone interact. energy: -1.519
local terms energy: -490.001701
where:
bonds (distance) C4'-P energy: -88.561
bonds (distance) P-C4' energy: -93.674
flat angles C4'-P-C4' energy: -113.606
flat angles P-C4'-P energy: -70.405
tors. eta vs tors. theta energy: -123.756
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: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1611.646862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.646862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.646862 (E_RNA)
where:
Base-Base interactions energy: -1146.993
where: short stacking energy: -475.451
Base-Backbone interact. energy: -6.754
local terms energy: -457.899822
where:
bonds (distance) C4'-P energy: -88.738
bonds (distance) P-C4' energy: -90.423
flat angles C4'-P-C4' energy: -95.515
flat angles P-C4'-P energy: -63.682
tors. eta vs tors. theta energy: -119.541
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: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1495.808134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.808134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.808134 (E_RNA)
where:
Base-Base interactions energy: -1052.247
where: short stacking energy: -428.805
Base-Backbone interact. energy: -2.121
local terms energy: -441.440302
where:
bonds (distance) C4'-P energy: -87.624
bonds (distance) P-C4' energy: -84.494
flat angles C4'-P-C4' energy: -96.044
flat angles P-C4'-P energy: -66.565
tors. eta vs tors. theta energy: -106.714
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: 5
Temperature: 1.250000
Total energy: -1329.077994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.077994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.077994 (E_RNA)
where:
Base-Base interactions energy: -926.907
where: short stacking energy: -373.775
Base-Backbone interact. energy: -1.016
local terms energy: -401.154784
where:
bonds (distance) C4'-P energy: -74.720
bonds (distance) P-C4' energy: -81.404
flat angles C4'-P-C4' energy: -99.450
flat angles P-C4'-P energy: -51.356
tors. eta vs tors. theta energy: -94.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1260.558299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.558299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.558299 (E_RNA)
where:
Base-Base interactions energy: -872.230
where: short stacking energy: -370.193
Base-Backbone interact. energy: -3.932
local terms energy: -384.395967
where:
bonds (distance) C4'-P energy: -61.425
bonds (distance) P-C4' energy: -74.860
flat angles C4'-P-C4' energy: -91.902
flat angles P-C4'-P energy: -66.325
tors. eta vs tors. theta energy: -89.883
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: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -1205.811615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.811615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.811615 (E_RNA)
where:
Base-Base interactions energy: -835.856
where: short stacking energy: -345.231
Base-Backbone interact. energy: 1.031
local terms energy: -370.985882
where:
bonds (distance) C4'-P energy: -82.556
bonds (distance) P-C4' energy: -80.268
flat angles C4'-P-C4' energy: -85.437
flat angles P-C4'-P energy: -48.722
tors. eta vs tors. theta energy: -74.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1912.909441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.909441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.909441 (E_RNA)
where:
Base-Base interactions energy: -1371.547
where: short stacking energy: -540.910
Base-Backbone interact. energy: -3.805
local terms energy: -537.557748
where:
bonds (distance) C4'-P energy: -102.416
bonds (distance) P-C4' energy: -99.730
flat angles C4'-P-C4' energy: -119.710
flat angles P-C4'-P energy: -69.046
tors. eta vs tors. theta energy: -146.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1829.039071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.039071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.039071 (E_RNA)
where:
Base-Base interactions energy: -1310.293
where: short stacking energy: -520.934
Base-Backbone interact. energy: -2.576
local terms energy: -516.169925
where:
bonds (distance) C4'-P energy: -94.222
bonds (distance) P-C4' energy: -90.423
flat angles C4'-P-C4' energy: -110.328
flat angles P-C4'-P energy: -79.381
tors. eta vs tors. theta energy: -141.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1815.408871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.408871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.408871 (E_RNA)
where:
Base-Base interactions energy: -1308.044
where: short stacking energy: -509.311
Base-Backbone interact. energy: -6.944
local terms energy: -500.420814
where:
bonds (distance) C4'-P energy: -94.798
bonds (distance) P-C4' energy: -87.393
flat angles C4'-P-C4' energy: -114.635
flat angles P-C4'-P energy: -71.563
tors. eta vs tors. theta energy: -132.031
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: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1666.103155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.103155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.103155 (E_RNA)
where:
Base-Base interactions energy: -1177.714
where: short stacking energy: -474.815
Base-Backbone interact. energy: 1.097
local terms energy: -489.485985
where:
bonds (distance) C4'-P energy: -82.504
bonds (distance) P-C4' energy: -101.538
flat angles C4'-P-C4' energy: -111.940
flat angles P-C4'-P energy: -67.025
tors. eta vs tors. theta energy: -126.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1595.750611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.750611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.750611 (E_RNA)
where:
Base-Base interactions energy: -1115.611
where: short stacking energy: -458.438
Base-Backbone interact. energy: -3.853
local terms energy: -476.286176
where:
bonds (distance) C4'-P energy: -101.034
bonds (distance) P-C4' energy: -84.241
flat angles C4'-P-C4' energy: -85.456
flat angles P-C4'-P energy: -80.596
tors. eta vs tors. theta energy: -124.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1558.129062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.129062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.129062 (E_RNA)
where:
Base-Base interactions energy: -1113.975
where: short stacking energy: -425.557
Base-Backbone interact. energy: -0.956
local terms energy: -443.198558
where:
bonds (distance) C4'-P energy: -80.858
bonds (distance) P-C4' energy: -80.875
flat angles C4'-P-C4' energy: -99.193
flat angles P-C4'-P energy: -68.249
tors. eta vs tors. theta energy: -114.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1462.251790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.251790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.251790 (E_RNA)
where:
Base-Base interactions energy: -1012.171
where: short stacking energy: -419.912
Base-Backbone interact. energy: -2.929
local terms energy: -447.151857
where:
bonds (distance) C4'-P energy: -79.617
bonds (distance) P-C4' energy: -81.565
flat angles C4'-P-C4' energy: -102.902
flat angles P-C4'-P energy: -73.950
tors. eta vs tors. theta energy: -109.118
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: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1399.651690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.651690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.651690 (E_RNA)
where:
Base-Base interactions energy: -991.261
where: short stacking energy: -399.002
Base-Backbone interact. energy: 1.221
local terms energy: -409.611362
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -75.433
flat angles C4'-P-C4' energy: -94.678
flat angles P-C4'-P energy: -58.747
tors. eta vs tors. theta energy: -104.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1217.516533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.516533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.516533 (E_RNA)
where:
Base-Base interactions energy: -815.578
where: short stacking energy: -356.147
Base-Backbone interact. energy: -0.900
local terms energy: -401.038503
where:
bonds (distance) C4'-P energy: -71.616
bonds (distance) P-C4' energy: -85.405
flat angles C4'-P-C4' energy: -91.746
flat angles P-C4'-P energy: -72.213
tors. eta vs tors. theta energy: -80.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1086.985087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.985087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.985087 (E_RNA)
where:
Base-Base interactions energy: -743.450
where: short stacking energy: -293.025
Base-Backbone interact. energy: 2.240
local terms energy: -345.774346
where:
bonds (distance) C4'-P energy: -80.423
bonds (distance) P-C4' energy: -86.869
flat angles C4'-P-C4' energy: -77.484
flat angles P-C4'-P energy: -41.814
tors. eta vs tors. theta energy: -59.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1886.095140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.095140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.095140 (E_RNA)
where:
Base-Base interactions energy: -1343.895
where: short stacking energy: -501.879
Base-Backbone interact. energy: -2.656
local terms energy: -539.543782
where:
bonds (distance) C4'-P energy: -96.757
bonds (distance) P-C4' energy: -108.109
flat angles C4'-P-C4' energy: -107.118
flat angles P-C4'-P energy: -89.247
tors. eta vs tors. theta energy: -138.313
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: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1833.762334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.762334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.762334 (E_RNA)
where:
Base-Base interactions energy: -1309.771
where: short stacking energy: -524.148
Base-Backbone interact. energy: -5.184
local terms energy: -518.806830
where:
bonds (distance) C4'-P energy: -101.257
bonds (distance) P-C4' energy: -86.187
flat angles C4'-P-C4' energy: -113.774
flat angles P-C4'-P energy: -70.601
tors. eta vs tors. theta energy: -146.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1796.509484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.509484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.509484 (E_RNA)
where:
Base-Base interactions energy: -1291.886
where: short stacking energy: -520.721
Base-Backbone interact. energy: -3.647
local terms energy: -500.975761
where:
bonds (distance) C4'-P energy: -85.221
bonds (distance) P-C4' energy: -94.120
flat angles C4'-P-C4' energy: -111.835
flat angles P-C4'-P energy: -75.627
tors. eta vs tors. theta energy: -134.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1632.606997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.606997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.606997 (E_RNA)
where:
Base-Base interactions energy: -1152.653
where: short stacking energy: -458.565
Base-Backbone interact. energy: -2.613
local terms energy: -477.340337
where:
bonds (distance) C4'-P energy: -82.289
bonds (distance) P-C4' energy: -98.653
flat angles C4'-P-C4' energy: -114.955
flat angles P-C4'-P energy: -66.154
tors. eta vs tors. theta energy: -115.290
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: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1566.328710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.328710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.328710 (E_RNA)
where:
Base-Base interactions energy: -1084.931
where: short stacking energy: -434.494
Base-Backbone interact. energy: 0.920
local terms energy: -482.317172
where:
bonds (distance) C4'-P energy: -94.225
bonds (distance) P-C4' energy: -90.043
flat angles C4'-P-C4' energy: -102.504
flat angles P-C4'-P energy: -73.238
tors. eta vs tors. theta energy: -122.308
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: 7
Temperature: 1.150000
Total energy: -1514.611669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.611669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.611669 (E_RNA)
where:
Base-Base interactions energy: -1086.518
where: short stacking energy: -428.310
Base-Backbone interact. energy: -1.246
local terms energy: -426.847311
where:
bonds (distance) C4'-P energy: -84.083
bonds (distance) P-C4' energy: -85.811
flat angles C4'-P-C4' energy: -83.345
flat angles P-C4'-P energy: -67.995
tors. eta vs tors. theta energy: -105.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1430.589987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.589987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.589987 (E_RNA)
where:
Base-Base interactions energy: -1003.372
where: short stacking energy: -411.671
Base-Backbone interact. energy: 7.437
local terms energy: -434.654817
where:
bonds (distance) C4'-P energy: -78.919
bonds (distance) P-C4' energy: -85.099
flat angles C4'-P-C4' energy: -105.300
flat angles P-C4'-P energy: -66.745
tors. eta vs tors. theta energy: -98.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1384.964252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.964252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.964252 (E_RNA)
where:
Base-Base interactions energy: -962.291
where: short stacking energy: -373.121
Base-Backbone interact. energy: 0.585
local terms energy: -423.257552
where:
bonds (distance) C4'-P energy: -95.759
bonds (distance) P-C4' energy: -92.878
flat angles C4'-P-C4' energy: -91.548
flat angles P-C4'-P energy: -55.406
tors. eta vs tors. theta energy: -87.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1222.386786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.386786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.386786 (E_RNA)
where:
Base-Base interactions energy: -817.968
where: short stacking energy: -320.838
Base-Backbone interact. energy: -0.487
local terms energy: -403.931569
where:
bonds (distance) C4'-P energy: -71.515
bonds (distance) P-C4' energy: -92.211
flat angles C4'-P-C4' energy: -94.667
flat angles P-C4'-P energy: -59.546
tors. eta vs tors. theta energy: -85.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1132.582816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.582816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.582816 (E_RNA)
where:
Base-Base interactions energy: -792.456
where: short stacking energy: -327.510
Base-Backbone interact. energy: -0.693
local terms energy: -339.434347
where:
bonds (distance) C4'-P energy: -60.517
bonds (distance) P-C4' energy: -76.104
flat angles C4'-P-C4' energy: -96.177
flat angles P-C4'-P energy: -47.388
tors. eta vs tors. theta energy: -59.249
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: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1889.542391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.542391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.542391 (E_RNA)
where:
Base-Base interactions energy: -1324.428
where: short stacking energy: -513.433
Base-Backbone interact. energy: -6.134
local terms energy: -558.980412
where:
bonds (distance) C4'-P energy: -110.350
bonds (distance) P-C4' energy: -104.149
flat angles C4'-P-C4' energy: -121.503
flat angles P-C4'-P energy: -80.320
tors. eta vs tors. theta energy: -142.659
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: 8
Temperature: 0.950000
Total energy: -1847.550227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.550227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.550227 (E_RNA)
where:
Base-Base interactions energy: -1310.023
where: short stacking energy: -492.952
Base-Backbone interact. energy: -4.941
local terms energy: -532.586257
where:
bonds (distance) C4'-P energy: -104.609
bonds (distance) P-C4' energy: -97.252
flat angles C4'-P-C4' energy: -114.126
flat angles P-C4'-P energy: -69.275
tors. eta vs tors. theta energy: -147.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1757.385236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.385236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.385236 (E_RNA)
where:
Base-Base interactions energy: -1257.317
where: short stacking energy: -479.097
Base-Backbone interact. energy: -1.186
local terms energy: -498.881745
where:
bonds (distance) C4'-P energy: -100.366
bonds (distance) P-C4' energy: -103.491
flat angles C4'-P-C4' energy: -96.571
flat angles P-C4'-P energy: -75.569
tors. eta vs tors. theta energy: -122.885
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: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1642.808757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.808757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.808757 (E_RNA)
where:
Base-Base interactions energy: -1135.640
where: short stacking energy: -463.113
Base-Backbone interact. energy: -2.970
local terms energy: -504.198427
where:
bonds (distance) C4'-P energy: -104.331
bonds (distance) P-C4' energy: -102.747
flat angles C4'-P-C4' energy: -107.864
flat angles P-C4'-P energy: -64.453
tors. eta vs tors. theta energy: -124.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1565.605252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.605252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.605252 (E_RNA)
where:
Base-Base interactions energy: -1091.338
where: short stacking energy: -449.559
Base-Backbone interact. energy: 0.035
local terms energy: -474.301627
where:
bonds (distance) C4'-P energy: -77.497
bonds (distance) P-C4' energy: -94.083
flat angles C4'-P-C4' energy: -120.184
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: -123.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1488.109493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.109493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.109493 (E_RNA)
where:
Base-Base interactions energy: -1057.868
where: short stacking energy: -437.817
Base-Backbone interact. energy: 1.045
local terms energy: -431.286442
where:
bonds (distance) C4'-P energy: -80.494
bonds (distance) P-C4' energy: -72.001
flat angles C4'-P-C4' energy: -104.430
flat angles P-C4'-P energy: -64.626
tors. eta vs tors. theta energy: -109.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1399.917605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.917605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.917605 (E_RNA)
where:
Base-Base interactions energy: -973.213
where: short stacking energy: -391.227
Base-Backbone interact. energy: 2.308
local terms energy: -429.011984
where:
bonds (distance) C4'-P energy: -86.589
bonds (distance) P-C4' energy: -87.893
flat angles C4'-P-C4' energy: -89.855
flat angles P-C4'-P energy: -63.534
tors. eta vs tors. theta energy: -101.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1322.367181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.367181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.367181 (E_RNA)
where:
Base-Base interactions energy: -931.059
where: short stacking energy: -360.929
Base-Backbone interact. energy: -2.677
local terms energy: -388.631859
where:
bonds (distance) C4'-P energy: -83.691
bonds (distance) P-C4' energy: -71.301
flat angles C4'-P-C4' energy: -93.956
flat angles P-C4'-P energy: -55.142
tors. eta vs tors. theta energy: -84.541
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: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1109.101600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.101600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.101600 (E_RNA)
where:
Base-Base interactions energy: -730.214
where: short stacking energy: -314.396
Base-Backbone interact. energy: -2.652
local terms energy: -376.236557
where:
bonds (distance) C4'-P energy: -81.081
bonds (distance) P-C4' energy: -89.284
flat angles C4'-P-C4' energy: -87.489
flat angles P-C4'-P energy: -51.925
tors. eta vs tors. theta energy: -66.457
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: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1125.327468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.327468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.327468 (E_RNA)
where:
Base-Base interactions energy: -777.890
where: short stacking energy: -313.404
Base-Backbone interact. energy: 0.505
local terms energy: -347.942014
where:
bonds (distance) C4'-P energy: -99.380
bonds (distance) P-C4' energy: -56.790
flat angles C4'-P-C4' energy: -91.020
flat angles P-C4'-P energy: -37.509
tors. eta vs tors. theta energy: -63.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1896.996022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.996022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.996022 (E_RNA)
where:
Base-Base interactions energy: -1367.243
where: short stacking energy: -514.925
Base-Backbone interact. energy: -0.856
local terms energy: -528.897402
where:
bonds (distance) C4'-P energy: -99.489
bonds (distance) P-C4' energy: -96.584
flat angles C4'-P-C4' energy: -109.721
flat angles P-C4'-P energy: -82.435
tors. eta vs tors. theta energy: -140.668
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: 9
Temperature: 0.950000
Total energy: -1835.652617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.652617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.652617 (E_RNA)
where:
Base-Base interactions energy: -1310.824
where: short stacking energy: -504.800
Base-Backbone interact. energy: -3.044
local terms energy: -521.784930
where:
bonds (distance) C4'-P energy: -106.444
bonds (distance) P-C4' energy: -89.809
flat angles C4'-P-C4' energy: -106.646
flat angles P-C4'-P energy: -77.708
tors. eta vs tors. theta energy: -141.178
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: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1752.430413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.430413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.430413 (E_RNA)
where:
Base-Base interactions energy: -1250.432
where: short stacking energy: -487.103
Base-Backbone interact. energy: -5.129
local terms energy: -496.869423
where:
bonds (distance) C4'-P energy: -96.771
bonds (distance) P-C4' energy: -82.641
flat angles C4'-P-C4' energy: -110.665
flat angles P-C4'-P energy: -78.303
tors. eta vs tors. theta energy: -128.489
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: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1649.363970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.363970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.363970 (E_RNA)
where:
Base-Base interactions energy: -1150.948
where: short stacking energy: -454.169
Base-Backbone interact. energy: -3.776
local terms energy: -494.640427
where:
bonds (distance) C4'-P energy: -93.118
bonds (distance) P-C4' energy: -96.198
flat angles C4'-P-C4' energy: -103.900
flat angles P-C4'-P energy: -73.276
tors. eta vs tors. theta energy: -128.148
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: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1568.502511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.502511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.502511 (E_RNA)
where:
Base-Base interactions energy: -1091.676
where: short stacking energy: -444.887
Base-Backbone interact. energy: 2.256
local terms energy: -479.082450
where:
bonds (distance) C4'-P energy: -98.288
bonds (distance) P-C4' energy: -94.852
flat angles C4'-P-C4' energy: -107.726
flat angles P-C4'-P energy: -62.519
tors. eta vs tors. theta energy: -115.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1434.308614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.308614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.308614 (E_RNA)
where:
Base-Base interactions energy: -1008.980
where: short stacking energy: -399.371
Base-Backbone interact. energy: -1.926
local terms energy: -423.402667
where:
bonds (distance) C4'-P energy: -81.277
bonds (distance) P-C4' energy: -83.215
flat angles C4'-P-C4' energy: -87.471
flat angles P-C4'-P energy: -66.674
tors. eta vs tors. theta energy: -104.766
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: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1421.726514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.726514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.726514 (E_RNA)
where:
Base-Base interactions energy: -973.622
where: short stacking energy: -395.202
Base-Backbone interact. energy: -1.740
local terms energy: -446.365140
where:
bonds (distance) C4'-P energy: -72.752
bonds (distance) P-C4' energy: -109.176
flat angles C4'-P-C4' energy: -105.627
flat angles P-C4'-P energy: -57.448
tors. eta vs tors. theta energy: -101.362
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: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1326.578296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.578296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.578296 (E_RNA)
where:
Base-Base interactions energy: -909.891
where: short stacking energy: -368.184
Base-Backbone interact. energy: -0.619
local terms energy: -416.067586
where:
bonds (distance) C4'-P energy: -87.260
bonds (distance) P-C4' energy: -89.818
flat angles C4'-P-C4' energy: -91.599
flat angles P-C4'-P energy: -57.529
tors. eta vs tors. theta energy: -89.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1187.759289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.759289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.759289 (E_RNA)
where:
Base-Base interactions energy: -791.242
where: short stacking energy: -353.460
Base-Backbone interact. energy: -1.755
local terms energy: -394.762078
where:
bonds (distance) C4'-P energy: -75.214
bonds (distance) P-C4' energy: -70.366
flat angles C4'-P-C4' energy: -89.947
flat angles P-C4'-P energy: -66.950
tors. eta vs tors. theta energy: -92.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -896.726222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.726222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.726222 (E_RNA)
where:
Base-Base interactions energy: -579.962
where: short stacking energy: -267.826
Base-Backbone interact. energy: 0.546
local terms energy: -317.309478
where:
bonds (distance) C4'-P energy: -80.090
bonds (distance) P-C4' energy: -76.198
flat angles C4'-P-C4' energy: -81.799
flat angles P-C4'-P energy: -53.891
tors. eta vs tors. theta energy: -25.331
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: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1893.327516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.327516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.327516 (E_RNA)
where:
Base-Base interactions energy: -1335.187
where: short stacking energy: -517.326
Base-Backbone interact. energy: -6.471
local terms energy: -551.670145
where:
bonds (distance) C4'-P energy: -102.984
bonds (distance) P-C4' energy: -110.533
flat angles C4'-P-C4' energy: -122.923
flat angles P-C4'-P energy: -69.233
tors. eta vs tors. theta energy: -145.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1843.685315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.685315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.685315 (E_RNA)
where:
Base-Base interactions energy: -1307.101
where: short stacking energy: -492.147
Base-Backbone interact. energy: -6.419
local terms energy: -530.164566
where:
bonds (distance) C4'-P energy: -106.649
bonds (distance) P-C4' energy: -103.834
flat angles C4'-P-C4' energy: -104.606
flat angles P-C4'-P energy: -76.350
tors. eta vs tors. theta energy: -138.725
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: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1753.341189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.341189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.341189 (E_RNA)
where:
Base-Base interactions energy: -1234.531
where: short stacking energy: -494.681
Base-Backbone interact. energy: -4.773
local terms energy: -514.037899
where:
bonds (distance) C4'-P energy: -83.716
bonds (distance) P-C4' energy: -97.596
flat angles C4'-P-C4' energy: -105.293
flat angles P-C4'-P energy: -82.113
tors. eta vs tors. theta energy: -145.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1636.711743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.711743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.711743 (E_RNA)
where:
Base-Base interactions energy: -1144.420
where: short stacking energy: -457.367
Base-Backbone interact. energy: -3.999
local terms energy: -488.292688
where:
bonds (distance) C4'-P energy: -98.602
bonds (distance) P-C4' energy: -90.214
flat angles C4'-P-C4' energy: -115.007
flat angles P-C4'-P energy: -64.334
tors. eta vs tors. theta energy: -120.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1565.755150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.755150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.755150 (E_RNA)
where:
Base-Base interactions energy: -1098.135
where: short stacking energy: -443.434
Base-Backbone interact. energy: -4.059
local terms energy: -463.561411
where:
bonds (distance) C4'-P energy: -88.372
bonds (distance) P-C4' energy: -94.134
flat angles C4'-P-C4' energy: -95.876
flat angles P-C4'-P energy: -61.248
tors. eta vs tors. theta energy: -123.932
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: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1503.763127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.763127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.763127 (E_RNA)
where:
Base-Base interactions energy: -1041.697
where: short stacking energy: -441.668
Base-Backbone interact. energy: 0.833
local terms energy: -462.899657
where:
bonds (distance) C4'-P energy: -71.597
bonds (distance) P-C4' energy: -101.920
flat angles C4'-P-C4' energy: -109.598
flat angles P-C4'-P energy: -62.718
tors. eta vs tors. theta energy: -117.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -1339.414135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.414135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.414135 (E_RNA)
where:
Base-Base interactions energy: -912.193
where: short stacking energy: -365.935
Base-Backbone interact. energy: -1.999
local terms energy: -425.222740
where:
bonds (distance) C4'-P energy: -73.588
bonds (distance) P-C4' energy: -93.868
flat angles C4'-P-C4' energy: -96.558
flat angles P-C4'-P energy: -69.804
tors. eta vs tors. theta energy: -91.405
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: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1338.142564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.142564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.142564 (E_RNA)
where:
Base-Base interactions energy: -915.255
where: short stacking energy: -371.545
Base-Backbone interact. energy: -1.212
local terms energy: -421.675650
where:
bonds (distance) C4'-P energy: -66.389
bonds (distance) P-C4' energy: -97.673
flat angles C4'-P-C4' energy: -103.500
flat angles P-C4'-P energy: -67.155
tors. eta vs tors. theta energy: -86.958
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: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1168.258796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.258796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.258796 (E_RNA)
where:
Base-Base interactions energy: -764.983
where: short stacking energy: -335.032
Base-Backbone interact. energy: -1.255
local terms energy: -402.021169
where:
bonds (distance) C4'-P energy: -89.523
bonds (distance) P-C4' energy: -85.241
flat angles C4'-P-C4' energy: -100.956
flat angles P-C4'-P energy: -43.044
tors. eta vs tors. theta energy: -83.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -907.598479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.598479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.598479 (E_RNA)
where:
Base-Base interactions energy: -577.421
where: short stacking energy: -253.333
Base-Backbone interact. energy: -2.773
local terms energy: -327.405203
where:
bonds (distance) C4'-P energy: -91.122
bonds (distance) P-C4' energy: -79.468
flat angles C4'-P-C4' energy: -74.048
flat angles P-C4'-P energy: -40.544
tors. eta vs tors. theta energy: -42.223
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: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1887.437798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.437798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.437798 (E_RNA)
where:
Base-Base interactions energy: -1331.218
where: short stacking energy: -510.077
Base-Backbone interact. energy: -4.213
local terms energy: -552.006910
where:
bonds (distance) C4'-P energy: -110.072
bonds (distance) P-C4' energy: -102.920
flat angles C4'-P-C4' energy: -121.381
flat angles P-C4'-P energy: -71.855
tors. eta vs tors. theta energy: -145.779
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: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1816.686957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.686957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.686957 (E_RNA)
where:
Base-Base interactions energy: -1300.303
where: short stacking energy: -498.080
Base-Backbone interact. energy: -4.453
local terms energy: -511.930776
where:
bonds (distance) C4'-P energy: -79.640
bonds (distance) P-C4' energy: -104.314
flat angles C4'-P-C4' energy: -118.454
flat angles P-C4'-P energy: -74.102
tors. eta vs tors. theta energy: -135.421
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: 11
Temperature: 1.000000
Total energy: -1754.353317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.353317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.353317 (E_RNA)
where:
Base-Base interactions energy: -1245.272
where: short stacking energy: -491.211
Base-Backbone interact. energy: -2.209
local terms energy: -506.872467
where:
bonds (distance) C4'-P energy: -92.583
bonds (distance) P-C4' energy: -85.133
flat angles C4'-P-C4' energy: -113.925
flat angles P-C4'-P energy: -79.952
tors. eta vs tors. theta energy: -135.280
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: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1664.813287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.813287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.813287 (E_RNA)
where:
Base-Base interactions energy: -1173.502
where: short stacking energy: -478.680
Base-Backbone interact. energy: 2.805
local terms energy: -494.116907
where:
bonds (distance) C4'-P energy: -97.722
bonds (distance) P-C4' energy: -97.553
flat angles C4'-P-C4' energy: -110.347
flat angles P-C4'-P energy: -58.818
tors. eta vs tors. theta energy: -129.677
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: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1539.637561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.637561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.637561 (E_RNA)
where:
Base-Base interactions energy: -1073.367
where: short stacking energy: -440.408
Base-Backbone interact. energy: 2.518
local terms energy: -468.788120
where:
bonds (distance) C4'-P energy: -94.749
bonds (distance) P-C4' energy: -79.987
flat angles C4'-P-C4' energy: -106.961
flat angles P-C4'-P energy: -67.629
tors. eta vs tors. theta energy: -119.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1477.315613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.315613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.315613 (E_RNA)
where:
Base-Base interactions energy: -1022.316
where: short stacking energy: -414.672
Base-Backbone interact. energy: 0.225
local terms energy: -455.224233
where:
bonds (distance) C4'-P energy: -85.273
bonds (distance) P-C4' energy: -90.598
flat angles C4'-P-C4' energy: -119.498
flat angles P-C4'-P energy: -64.091
tors. eta vs tors. theta energy: -95.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1378.572406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.572406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.572406 (E_RNA)
where:
Base-Base interactions energy: -957.204
where: short stacking energy: -401.631
Base-Backbone interact. energy: 4.433
local terms energy: -425.801326
where:
bonds (distance) C4'-P energy: -75.813
bonds (distance) P-C4' energy: -86.060
flat angles C4'-P-C4' energy: -99.146
flat angles P-C4'-P energy: -67.614
tors. eta vs tors. theta energy: -97.168
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: 11
Temperature: 1.250000
Total energy: -1293.449030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.449030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.449030 (E_RNA)
where:
Base-Base interactions energy: -879.791
where: short stacking energy: -351.976
Base-Backbone interact. energy: 0.684
local terms energy: -414.342612
where:
bonds (distance) C4'-P energy: -93.347
bonds (distance) P-C4' energy: -86.758
flat angles C4'-P-C4' energy: -95.141
flat angles P-C4'-P energy: -60.897
tors. eta vs tors. theta energy: -78.200
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1178.183327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.183327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.183327 (E_RNA)
where:
Base-Base interactions energy: -808.720
where: short stacking energy: -334.721
Base-Backbone interact. energy: 0.659
local terms energy: -370.121628
where:
bonds (distance) C4'-P energy: -84.369
bonds (distance) P-C4' energy: -83.388
flat angles C4'-P-C4' energy: -88.488
flat angles P-C4'-P energy: -43.569
tors. eta vs tors. theta energy: -70.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -933.092346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.092346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.092346 (E_RNA)
where:
Base-Base interactions energy: -603.079
where: short stacking energy: -252.201
Base-Backbone interact. energy: 1.912
local terms energy: -331.925577
where:
bonds (distance) C4'-P energy: -82.731
bonds (distance) P-C4' energy: -74.479
flat angles C4'-P-C4' energy: -97.203
flat angles P-C4'-P energy: -44.654
tors. eta vs tors. theta energy: -32.858
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: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1891.665419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.665419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.665419 (E_RNA)
where:
Base-Base interactions energy: -1326.345
where: short stacking energy: -515.230
Base-Backbone interact. energy: -5.649
local terms energy: -559.671566
where:
bonds (distance) C4'-P energy: -109.944
bonds (distance) P-C4' energy: -103.401
flat angles C4'-P-C4' energy: -120.226
flat angles P-C4'-P energy: -77.105
tors. eta vs tors. theta energy: -148.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1843.635166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.635166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.635166 (E_RNA)
where:
Base-Base interactions energy: -1305.737
where: short stacking energy: -516.891
Base-Backbone interact. energy: -4.118
local terms energy: -533.780079
where:
bonds (distance) C4'-P energy: -107.400
bonds (distance) P-C4' energy: -90.683
flat angles C4'-P-C4' energy: -117.485
flat angles P-C4'-P energy: -67.956
tors. eta vs tors. theta energy: -150.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1787.313632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.313632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.313632 (E_RNA)
where:
Base-Base interactions energy: -1269.435
where: short stacking energy: -477.017
Base-Backbone interact. energy: -4.210
local terms energy: -513.668661
where:
bonds (distance) C4'-P energy: -100.445
bonds (distance) P-C4' energy: -105.997
flat angles C4'-P-C4' energy: -104.697
flat angles P-C4'-P energy: -69.346
tors. eta vs tors. theta energy: -133.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1641.510555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.510555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.510555 (E_RNA)
where:
Base-Base interactions energy: -1140.999
where: short stacking energy: -444.245
Base-Backbone interact. energy: -2.147
local terms energy: -498.364287
where:
bonds (distance) C4'-P energy: -99.112
bonds (distance) P-C4' energy: -99.980
flat angles C4'-P-C4' energy: -115.682
flat angles P-C4'-P energy: -64.781
tors. eta vs tors. theta energy: -118.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1523.816338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.816338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.816338 (E_RNA)
where:
Base-Base interactions energy: -1066.624
where: short stacking energy: -416.040
Base-Backbone interact. energy: -4.024
local terms energy: -453.168818
where:
bonds (distance) C4'-P energy: -84.702
bonds (distance) P-C4' energy: -93.008
flat angles C4'-P-C4' energy: -99.836
flat angles P-C4'-P energy: -67.504
tors. eta vs tors. theta energy: -108.119
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: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1484.632516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.632516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.632516 (E_RNA)
where:
Base-Base interactions energy: -1034.662
where: short stacking energy: -428.186
Base-Backbone interact. energy: -1.236
local terms energy: -448.734197
where:
bonds (distance) C4'-P energy: -83.150
bonds (distance) P-C4' energy: -69.745
flat angles C4'-P-C4' energy: -109.246
flat angles P-C4'-P energy: -65.537
tors. eta vs tors. theta energy: -121.056
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: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1374.865463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.865463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.865463 (E_RNA)
where:
Base-Base interactions energy: -968.644
where: short stacking energy: -403.601
Base-Backbone interact. energy: 1.997
local terms energy: -408.219090
where:
bonds (distance) C4'-P energy: -73.840
bonds (distance) P-C4' energy: -96.973
flat angles C4'-P-C4' energy: -95.519
flat angles P-C4'-P energy: -56.131
tors. eta vs tors. theta energy: -85.756
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: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1322.043300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.043300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.043300 (E_RNA)
where:
Base-Base interactions energy: -888.806
where: short stacking energy: -367.602
Base-Backbone interact. energy: 1.051
local terms energy: -434.288189
where:
bonds (distance) C4'-P energy: -90.588
bonds (distance) P-C4' energy: -97.375
flat angles C4'-P-C4' energy: -91.877
flat angles P-C4'-P energy: -52.954
tors. eta vs tors. theta energy: -101.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1138.066053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.066053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.066053 (E_RNA)
where:
Base-Base interactions energy: -750.730
where: short stacking energy: -324.703
Base-Backbone interact. energy: 2.545
local terms energy: -389.881224
where:
bonds (distance) C4'-P energy: -95.156
bonds (distance) P-C4' energy: -81.620
flat angles C4'-P-C4' energy: -87.835
flat angles P-C4'-P energy: -66.517
tors. eta vs tors. theta energy: -58.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -915.660447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.660447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.660447 (E_RNA)
where:
Base-Base interactions energy: -599.613
where: short stacking energy: -243.250
Base-Backbone interact. energy: -1.275
local terms energy: -314.771992
where:
bonds (distance) C4'-P energy: -82.427
bonds (distance) P-C4' energy: -89.361
flat angles C4'-P-C4' energy: -75.508
flat angles P-C4'-P energy: -52.829
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1901.402366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.402366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.402366 (E_RNA)
where:
Base-Base interactions energy: -1360.605
where: short stacking energy: -539.656
Base-Backbone interact. energy: -6.127
local terms energy: -534.670478
where:
bonds (distance) C4'-P energy: -101.523
bonds (distance) P-C4' energy: -98.996
flat angles C4'-P-C4' energy: -114.211
flat angles P-C4'-P energy: -67.987
tors. eta vs tors. theta energy: -151.954
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: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1842.373386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.373386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.373386 (E_RNA)
where:
Base-Base interactions energy: -1309.487
where: short stacking energy: -536.100
Base-Backbone interact. energy: -1.884
local terms energy: -531.002535
where:
bonds (distance) C4'-P energy: -100.443
bonds (distance) P-C4' energy: -89.163
flat angles C4'-P-C4' energy: -112.445
flat angles P-C4'-P energy: -78.344
tors. eta vs tors. theta energy: -150.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1784.641125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.641125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.641125 (E_RNA)
where:
Base-Base interactions energy: -1274.997
where: short stacking energy: -517.507
Base-Backbone interact. energy: -2.803
local terms energy: -506.840992
where:
bonds (distance) C4'-P energy: -91.400
bonds (distance) P-C4' energy: -91.170
flat angles C4'-P-C4' energy: -109.468
flat angles P-C4'-P energy: -68.953
tors. eta vs tors. theta energy: -145.850
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: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1644.955062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.955062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.955062 (E_RNA)
where:
Base-Base interactions energy: -1175.778
where: short stacking energy: -461.595
Base-Backbone interact. energy: -4.819
local terms energy: -464.357893
where:
bonds (distance) C4'-P energy: -96.378
bonds (distance) P-C4' energy: -90.589
flat angles C4'-P-C4' energy: -96.151
flat angles P-C4'-P energy: -66.590
tors. eta vs tors. theta energy: -114.651
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: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1539.409292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.409292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.409292 (E_RNA)
where:
Base-Base interactions energy: -1070.160
where: short stacking energy: -418.301
Base-Backbone interact. energy: -0.678
local terms energy: -468.571155
where:
bonds (distance) C4'-P energy: -82.406
bonds (distance) P-C4' energy: -99.162
flat angles C4'-P-C4' energy: -106.463
flat angles P-C4'-P energy: -74.306
tors. eta vs tors. theta energy: -106.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1487.902573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.902573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.902573 (E_RNA)
where:
Base-Base interactions energy: -1037.584
where: short stacking energy: -428.587
Base-Backbone interact. energy: -1.868
local terms energy: -448.450375
where:
bonds (distance) C4'-P energy: -73.813
bonds (distance) P-C4' energy: -97.521
flat angles C4'-P-C4' energy: -105.258
flat angles P-C4'-P energy: -56.101
tors. eta vs tors. theta energy: -115.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1416.802925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.802925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.802925 (E_RNA)
where:
Base-Base interactions energy: -1008.561
where: short stacking energy: -421.979
Base-Backbone interact. energy: 0.203
local terms energy: -408.445125
where:
bonds (distance) C4'-P energy: -64.573
bonds (distance) P-C4' energy: -76.037
flat angles C4'-P-C4' energy: -93.121
flat angles P-C4'-P energy: -72.273
tors. eta vs tors. theta energy: -102.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1313.366107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.366107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.366107 (E_RNA)
where:
Base-Base interactions energy: -914.234
where: short stacking energy: -377.476
Base-Backbone interact. energy: -4.400
local terms energy: -394.732104
where:
bonds (distance) C4'-P energy: -79.947
bonds (distance) P-C4' energy: -86.980
flat angles C4'-P-C4' energy: -77.611
flat angles P-C4'-P energy: -60.933
tors. eta vs tors. theta energy: -89.261
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: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1096.456931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.456931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.456931 (E_RNA)
where:
Base-Base interactions energy: -712.264
where: short stacking energy: -319.289
Base-Backbone interact. energy: -0.182
local terms energy: -384.010385
where:
bonds (distance) C4'-P energy: -81.182
bonds (distance) P-C4' energy: -97.849
flat angles C4'-P-C4' energy: -81.769
flat angles P-C4'-P energy: -52.439
tors. eta vs tors. theta energy: -70.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -976.373839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.373839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.373839 (E_RNA)
where:
Base-Base interactions energy: -657.673
where: short stacking energy: -279.063
Base-Backbone interact. energy: -2.900
local terms energy: -315.801057
where:
bonds (distance) C4'-P energy: -63.598
bonds (distance) P-C4' energy: -83.266
flat angles C4'-P-C4' energy: -78.930
flat angles P-C4'-P energy: -48.035
tors. eta vs tors. theta energy: -41.972
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: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1885.606326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.606326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.606326 (E_RNA)
where:
Base-Base interactions energy: -1313.828
where: short stacking energy: -531.372
Base-Backbone interact. energy: -4.151
local terms energy: -567.627910
where:
bonds (distance) C4'-P energy: -108.517
bonds (distance) P-C4' energy: -105.966
flat angles C4'-P-C4' energy: -111.300
flat angles P-C4'-P energy: -85.396
tors. eta vs tors. theta energy: -156.449
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: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1870.701951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.701951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.701951 (E_RNA)
where:
Base-Base interactions energy: -1321.636
where: short stacking energy: -512.124
Base-Backbone interact. energy: -3.804
local terms energy: -545.262262
where:
bonds (distance) C4'-P energy: -108.091
bonds (distance) P-C4' energy: -102.017
flat angles C4'-P-C4' energy: -107.721
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -146.586
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: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1778.100240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.100240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.100240 (E_RNA)
where:
Base-Base interactions energy: -1259.660
where: short stacking energy: -485.528
Base-Backbone interact. energy: -2.292
local terms energy: -516.148905
where:
bonds (distance) C4'-P energy: -94.415
bonds (distance) P-C4' energy: -100.196
flat angles C4'-P-C4' energy: -111.360
flat angles P-C4'-P energy: -68.220
tors. eta vs tors. theta energy: -141.958
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: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1611.349359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.349359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.349359 (E_RNA)
where:
Base-Base interactions energy: -1128.871
where: short stacking energy: -436.495
Base-Backbone interact. energy: -4.246
local terms energy: -478.232505
where:
bonds (distance) C4'-P energy: -80.532
bonds (distance) P-C4' energy: -105.698
flat angles C4'-P-C4' energy: -102.715
flat angles P-C4'-P energy: -78.096
tors. eta vs tors. theta energy: -111.191
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: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1541.545871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.545871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.545871 (E_RNA)
where:
Base-Base interactions energy: -1065.845
where: short stacking energy: -449.170
Base-Backbone interact. energy: 0.665
local terms energy: -476.365911
where:
bonds (distance) C4'-P energy: -86.317
bonds (distance) P-C4' energy: -84.613
flat angles C4'-P-C4' energy: -106.625
flat angles P-C4'-P energy: -81.251
tors. eta vs tors. theta energy: -117.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1504.375895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.375895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.375895 (E_RNA)
where:
Base-Base interactions energy: -1051.050
where: short stacking energy: -418.683
Base-Backbone interact. energy: -3.633
local terms energy: -449.692971
where:
bonds (distance) C4'-P energy: -85.900
bonds (distance) P-C4' energy: -98.454
flat angles C4'-P-C4' energy: -95.996
flat angles P-C4'-P energy: -68.958
tors. eta vs tors. theta energy: -100.385
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: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1392.980669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.980669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.980669 (E_RNA)
where:
Base-Base interactions energy: -968.078
where: short stacking energy: -408.711
Base-Backbone interact. energy: 2.570
local terms energy: -427.472542
where:
bonds (distance) C4'-P energy: -95.586
bonds (distance) P-C4' energy: -90.813
flat angles C4'-P-C4' energy: -86.715
flat angles P-C4'-P energy: -66.914
tors. eta vs tors. theta energy: -87.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1281.211463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.211463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.211463 (E_RNA)
where:
Base-Base interactions energy: -892.703
where: short stacking energy: -359.070
Base-Backbone interact. energy: 3.974
local terms energy: -392.483145
where:
bonds (distance) C4'-P energy: -79.337
bonds (distance) P-C4' energy: -79.447
flat angles C4'-P-C4' energy: -88.385
flat angles P-C4'-P energy: -67.841
tors. eta vs tors. theta energy: -77.473
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: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1167.883839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.883839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.883839 (E_RNA)
where:
Base-Base interactions energy: -783.201
where: short stacking energy: -357.801
Base-Backbone interact. energy: -2.721
local terms energy: -381.961668
where:
bonds (distance) C4'-P energy: -83.636
bonds (distance) P-C4' energy: -101.124
flat angles C4'-P-C4' energy: -76.743
flat angles P-C4'-P energy: -44.002
tors. eta vs tors. theta energy: -76.457
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: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -978.479733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.479733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.479733 (E_RNA)
where:
Base-Base interactions energy: -615.843
where: short stacking energy: -280.199
Base-Backbone interact. energy: -3.304
local terms energy: -359.332537
where:
bonds (distance) C4'-P energy: -82.999
bonds (distance) P-C4' energy: -78.105
flat angles C4'-P-C4' energy: -94.884
flat angles P-C4'-P energy: -46.523
tors. eta vs tors. theta energy: -56.821
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: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1886.659522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.659522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.659522 (E_RNA)
where:
Base-Base interactions energy: -1333.335
where: short stacking energy: -533.051
Base-Backbone interact. energy: 0.224
local terms energy: -553.549048
where:
bonds (distance) C4'-P energy: -101.997
bonds (distance) P-C4' energy: -107.959
flat angles C4'-P-C4' energy: -118.102
flat angles P-C4'-P energy: -74.815
tors. eta vs tors. theta energy: -150.676
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: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1794.768276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.768276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.768276 (E_RNA)
where:
Base-Base interactions energy: -1282.516
where: short stacking energy: -518.412
Base-Backbone interact. energy: -2.849
local terms energy: -509.403371
where:
bonds (distance) C4'-P energy: -94.754
bonds (distance) P-C4' energy: -109.871
flat angles C4'-P-C4' energy: -100.994
flat angles P-C4'-P energy: -69.881
tors. eta vs tors. theta energy: -133.904
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: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1819.027942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.027942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.027942 (E_RNA)
where:
Base-Base interactions energy: -1328.539
where: short stacking energy: -531.278
Base-Backbone interact. energy: -1.597
local terms energy: -488.892307
where:
bonds (distance) C4'-P energy: -81.612
bonds (distance) P-C4' energy: -95.790
flat angles C4'-P-C4' energy: -94.254
flat angles P-C4'-P energy: -71.303
tors. eta vs tors. theta energy: -145.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1607.843139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.843139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.843139 (E_RNA)
where:
Base-Base interactions energy: -1121.810
where: short stacking energy: -465.912
Base-Backbone interact. energy: -3.770
local terms energy: -482.262964
where:
bonds (distance) C4'-P energy: -85.757
bonds (distance) P-C4' energy: -105.804
flat angles C4'-P-C4' energy: -100.360
flat angles P-C4'-P energy: -64.996
tors. eta vs tors. theta energy: -125.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1544.521075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.521075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.521075 (E_RNA)
where:
Base-Base interactions energy: -1082.446
where: short stacking energy: -427.822
Base-Backbone interact. energy: 0.351
local terms energy: -462.425786
where:
bonds (distance) C4'-P energy: -87.384
bonds (distance) P-C4' energy: -83.485
flat angles C4'-P-C4' energy: -100.509
flat angles P-C4'-P energy: -72.065
tors. eta vs tors. theta energy: -118.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1461.421858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.421858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.421858 (E_RNA)
where:
Base-Base interactions energy: -1021.117
where: short stacking energy: -420.105
Base-Backbone interact. energy: -2.492
local terms energy: -437.812231
where:
bonds (distance) C4'-P energy: -83.721
bonds (distance) P-C4' energy: -95.177
flat angles C4'-P-C4' energy: -96.287
flat angles P-C4'-P energy: -60.280
tors. eta vs tors. theta energy: -102.347
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: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1407.867261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.867261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.867261 (E_RNA)
where:
Base-Base interactions energy: -979.228
where: short stacking energy: -387.717
Base-Backbone interact. energy: -4.850
local terms energy: -423.788949
where:
bonds (distance) C4'-P energy: -91.898
bonds (distance) P-C4' energy: -89.298
flat angles C4'-P-C4' energy: -90.268
flat angles P-C4'-P energy: -65.440
tors. eta vs tors. theta energy: -86.885
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: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1265.423232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.423232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.423232 (E_RNA)
where:
Base-Base interactions energy: -878.535
where: short stacking energy: -354.106
Base-Backbone interact. energy: -1.511
local terms energy: -385.377272
where:
bonds (distance) C4'-P energy: -67.836
bonds (distance) P-C4' energy: -87.952
flat angles C4'-P-C4' energy: -98.718
flat angles P-C4'-P energy: -57.347
tors. eta vs tors. theta energy: -73.524
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: 15
Temperature: 1.300000
Total energy: -1122.268778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.268778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.268778 (E_RNA)
where:
Base-Base interactions energy: -748.511
where: short stacking energy: -333.154
Base-Backbone interact. energy: -1.207
local terms energy: -372.551354
where:
bonds (distance) C4'-P energy: -77.866
bonds (distance) P-C4' energy: -71.598
flat angles C4'-P-C4' energy: -91.755
flat angles P-C4'-P energy: -64.461
tors. eta vs tors. theta energy: -66.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -958.048989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.048989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.048989 (E_RNA)
where:
Base-Base interactions energy: -632.885
where: short stacking energy: -269.710
Base-Backbone interact. energy: 1.312
local terms energy: -326.476080
where:
bonds (distance) C4'-P energy: -59.922
bonds (distance) P-C4' energy: -76.698
flat angles C4'-P-C4' energy: -87.609
flat angles P-C4'-P energy: -61.362
tors. eta vs tors. theta energy: -40.884
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: 16
Temperature: 0.900000
Total energy: -1871.756592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.756592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.756592 (E_RNA)
where:
Base-Base interactions energy: -1343.019
where: short stacking energy: -538.348
Base-Backbone interact. energy: -4.613
local terms energy: -524.123976
where:
bonds (distance) C4'-P energy: -101.015
bonds (distance) P-C4' energy: -97.786
flat angles C4'-P-C4' energy: -106.878
flat angles P-C4'-P energy: -73.194
tors. eta vs tors. theta energy: -145.250
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: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1761.084569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.084569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.084569 (E_RNA)
where:
Base-Base interactions energy: -1245.138
where: short stacking energy: -495.368
Base-Backbone interact. energy: -1.812
local terms energy: -514.135287
where:
bonds (distance) C4'-P energy: -99.601
bonds (distance) P-C4' energy: -96.280
flat angles C4'-P-C4' energy: -106.035
flat angles P-C4'-P energy: -76.400
tors. eta vs tors. theta energy: -135.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1808.376936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.376936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.376936 (E_RNA)
where:
Base-Base interactions energy: -1270.093
where: short stacking energy: -512.261
Base-Backbone interact. energy: -0.646
local terms energy: -537.638473
where:
bonds (distance) C4'-P energy: -97.105
bonds (distance) P-C4' energy: -101.706
flat angles C4'-P-C4' energy: -116.686
flat angles P-C4'-P energy: -80.735
tors. eta vs tors. theta energy: -141.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1602.587335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.587335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.587335 (E_RNA)
where:
Base-Base interactions energy: -1114.027
where: short stacking energy: -453.656
Base-Backbone interact. energy: -0.293
local terms energy: -488.267630
where:
bonds (distance) C4'-P energy: -99.522
bonds (distance) P-C4' energy: -91.085
flat angles C4'-P-C4' energy: -117.221
flat angles P-C4'-P energy: -59.683
tors. eta vs tors. theta energy: -120.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1495.146214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.146214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.146214 (E_RNA)
where:
Base-Base interactions energy: -1058.135
where: short stacking energy: -410.929
Base-Backbone interact. energy: -2.335
local terms energy: -434.676561
where:
bonds (distance) C4'-P energy: -88.124
bonds (distance) P-C4' energy: -84.083
flat angles C4'-P-C4' energy: -94.305
flat angles P-C4'-P energy: -60.134
tors. eta vs tors. theta energy: -108.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1458.103512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.103512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.103512 (E_RNA)
where:
Base-Base interactions energy: -1020.580
where: short stacking energy: -398.888
Base-Backbone interact. energy: -0.572
local terms energy: -436.951123
where:
bonds (distance) C4'-P energy: -87.470
bonds (distance) P-C4' energy: -99.997
flat angles C4'-P-C4' energy: -89.260
flat angles P-C4'-P energy: -65.716
tors. eta vs tors. theta energy: -94.508
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: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1390.157915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.157915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.157915 (E_RNA)
where:
Base-Base interactions energy: -950.828
where: short stacking energy: -388.256
Base-Backbone interact. energy: 0.065
local terms energy: -439.395127
where:
bonds (distance) C4'-P energy: -90.092
bonds (distance) P-C4' energy: -83.088
flat angles C4'-P-C4' energy: -102.135
flat angles P-C4'-P energy: -72.629
tors. eta vs tors. theta energy: -91.451
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: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1270.612667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.612667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.612667 (E_RNA)
where:
Base-Base interactions energy: -844.387
where: short stacking energy: -368.330
Base-Backbone interact. energy: 2.891
local terms energy: -429.117185
where:
bonds (distance) C4'-P energy: -90.029
bonds (distance) P-C4' energy: -82.021
flat angles C4'-P-C4' energy: -103.848
flat angles P-C4'-P energy: -66.444
tors. eta vs tors. theta energy: -86.774
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1100.067593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.067593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.067593 (E_RNA)
where:
Base-Base interactions energy: -737.477
where: short stacking energy: -314.752
Base-Backbone interact. energy: 0.515
local terms energy: -363.105540
where:
bonds (distance) C4'-P energy: -74.658
bonds (distance) P-C4' energy: -103.092
flat angles C4'-P-C4' energy: -89.747
flat angles P-C4'-P energy: -40.997
tors. eta vs tors. theta energy: -54.612
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: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -994.273135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.273135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.273135 (E_RNA)
where:
Base-Base interactions energy: -654.793
where: short stacking energy: -277.568
Base-Backbone interact. energy: 2.489
local terms energy: -341.968354
where:
bonds (distance) C4'-P energy: -75.457
bonds (distance) P-C4' energy: -89.988
flat angles C4'-P-C4' energy: -81.638
flat angles P-C4'-P energy: -62.645
tors. eta vs tors. theta energy: -32.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1871.382835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.382835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.382835 (E_RNA)
where:
Base-Base interactions energy: -1333.449
where: short stacking energy: -540.129
Base-Backbone interact. energy: -2.935
local terms energy: -534.998794
where:
bonds (distance) C4'-P energy: -93.588
bonds (distance) P-C4' energy: -104.584
flat angles C4'-P-C4' energy: -116.970
flat angles P-C4'-P energy: -74.463
tors. eta vs tors. theta energy: -145.394
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: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1840.353111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.353111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.353111 (E_RNA)
where:
Base-Base interactions energy: -1305.171
where: short stacking energy: -513.618
Base-Backbone interact. energy: -2.036
local terms energy: -533.146535
where:
bonds (distance) C4'-P energy: -90.696
bonds (distance) P-C4' energy: -97.350
flat angles C4'-P-C4' energy: -116.536
flat angles P-C4'-P energy: -79.249
tors. eta vs tors. theta energy: -149.314
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: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1718.348711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.348711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.348711 (E_RNA)
where:
Base-Base interactions energy: -1233.365
where: short stacking energy: -495.728
Base-Backbone interact. energy: 1.033
local terms energy: -486.017095
where:
bonds (distance) C4'-P energy: -89.338
bonds (distance) P-C4' energy: -105.838
flat angles C4'-P-C4' energy: -93.764
flat angles P-C4'-P energy: -69.968
tors. eta vs tors. theta energy: -127.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1606.449996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.449996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.449996 (E_RNA)
where:
Base-Base interactions energy: -1120.797
where: short stacking energy: -449.635
Base-Backbone interact. energy: -0.549
local terms energy: -485.104028
where:
bonds (distance) C4'-P energy: -90.282
bonds (distance) P-C4' energy: -96.208
flat angles C4'-P-C4' energy: -109.882
flat angles P-C4'-P energy: -76.760
tors. eta vs tors. theta energy: -111.971
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: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1533.861877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.861877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.861877 (E_RNA)
where:
Base-Base interactions energy: -1072.038
where: short stacking energy: -437.437
Base-Backbone interact. energy: -3.499
local terms energy: -458.324763
where:
bonds (distance) C4'-P energy: -88.005
bonds (distance) P-C4' energy: -84.910
flat angles C4'-P-C4' energy: -105.240
flat angles P-C4'-P energy: -75.597
tors. eta vs tors. theta energy: -104.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1494.441924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.441924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.441924 (E_RNA)
where:
Base-Base interactions energy: -1042.651
where: short stacking energy: -400.031
Base-Backbone interact. energy: 0.661
local terms energy: -452.452650
where:
bonds (distance) C4'-P energy: -84.988
bonds (distance) P-C4' energy: -95.527
flat angles C4'-P-C4' energy: -107.036
flat angles P-C4'-P energy: -72.169
tors. eta vs tors. theta energy: -92.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1394.491923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.491923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.491923 (E_RNA)
where:
Base-Base interactions energy: -970.143
where: short stacking energy: -400.839
Base-Backbone interact. energy: -3.200
local terms energy: -421.149024
where:
bonds (distance) C4'-P energy: -76.810
bonds (distance) P-C4' energy: -83.920
flat angles C4'-P-C4' energy: -99.907
flat angles P-C4'-P energy: -64.753
tors. eta vs tors. theta energy: -95.760
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: 5
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1275.396203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.396203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.396203 (E_RNA)
where:
Base-Base interactions energy: -863.126
where: short stacking energy: -357.928
Base-Backbone interact. energy: -0.557
local terms energy: -411.713704
where:
bonds (distance) C4'-P energy: -87.435
bonds (distance) P-C4' energy: -85.627
flat angles C4'-P-C4' energy: -102.041
flat angles P-C4'-P energy: -58.680
tors. eta vs tors. theta energy: -77.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1171.983333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.983333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.983333 (E_RNA)
where:
Base-Base interactions energy: -807.431
where: short stacking energy: -357.970
Base-Backbone interact. energy: -0.746
local terms energy: -363.806935
where:
bonds (distance) C4'-P energy: -80.925
bonds (distance) P-C4' energy: -86.800
flat angles C4'-P-C4' energy: -81.633
flat angles P-C4'-P energy: -43.678
tors. eta vs tors. theta energy: -70.770
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: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -896.571510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.571510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.571510 (E_RNA)
where:
Base-Base interactions energy: -599.944
where: short stacking energy: -282.797
Base-Backbone interact. energy: 2.221
local terms energy: -298.848125
where:
bonds (distance) C4'-P energy: -64.368
bonds (distance) P-C4' energy: -80.326
flat angles C4'-P-C4' energy: -69.515
flat angles P-C4'-P energy: -45.545
tors. eta vs tors. theta energy: -39.095
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: 18
Temperature: 0.900000
Total energy: -1890.100107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.100107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.100107 (E_RNA)
where:
Base-Base interactions energy: -1351.840
where: short stacking energy: -544.184
Base-Backbone interact. energy: -2.062
local terms energy: -536.198326
where:
bonds (distance) C4'-P energy: -92.849
bonds (distance) P-C4' energy: -109.994
flat angles C4'-P-C4' energy: -109.342
flat angles P-C4'-P energy: -67.823
tors. eta vs tors. theta energy: -156.189
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: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1813.886328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.886328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.886328 (E_RNA)
where:
Base-Base interactions energy: -1292.839
where: short stacking energy: -496.598
Base-Backbone interact. energy: -3.474
local terms energy: -517.573292
where:
bonds (distance) C4'-P energy: -103.872
bonds (distance) P-C4' energy: -81.767
flat angles C4'-P-C4' energy: -106.338
flat angles P-C4'-P energy: -81.616
tors. eta vs tors. theta energy: -143.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1704.263198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.263198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.263198 (E_RNA)
where:
Base-Base interactions energy: -1204.572
where: short stacking energy: -493.553
Base-Backbone interact. energy: -1.371
local terms energy: -498.320123
where:
bonds (distance) C4'-P energy: -84.688
bonds (distance) P-C4' energy: -91.083
flat angles C4'-P-C4' energy: -113.209
flat angles P-C4'-P energy: -76.505
tors. eta vs tors. theta energy: -132.835
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: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1582.994367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.994367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.994367 (E_RNA)
where:
Base-Base interactions energy: -1121.776
where: short stacking energy: -438.059
Base-Backbone interact. energy: 2.216
local terms energy: -463.434101
where:
bonds (distance) C4'-P energy: -86.001
bonds (distance) P-C4' energy: -98.590
flat angles C4'-P-C4' energy: -99.876
flat angles P-C4'-P energy: -67.188
tors. eta vs tors. theta energy: -111.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1525.923384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.923384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.923384 (E_RNA)
where:
Base-Base interactions energy: -1044.319
where: short stacking energy: -437.456
Base-Backbone interact. energy: 1.308
local terms energy: -482.912484
where:
bonds (distance) C4'-P energy: -87.721
bonds (distance) P-C4' energy: -103.119
flat angles C4'-P-C4' energy: -102.755
flat angles P-C4'-P energy: -67.183
tors. eta vs tors. theta energy: -122.135
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: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1462.407134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.407134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.407134 (E_RNA)
where:
Base-Base interactions energy: -1029.375
where: short stacking energy: -400.952
Base-Backbone interact. energy: -3.521
local terms energy: -429.511437
where:
bonds (distance) C4'-P energy: -83.967
bonds (distance) P-C4' energy: -81.950
flat angles C4'-P-C4' energy: -111.047
flat angles P-C4'-P energy: -57.927
tors. eta vs tors. theta energy: -94.620
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: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1404.003762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.003762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.003762 (E_RNA)
where:
Base-Base interactions energy: -992.304
where: short stacking energy: -413.918
Base-Backbone interact. energy: -1.361
local terms energy: -410.339128
where:
bonds (distance) C4'-P energy: -78.115
bonds (distance) P-C4' energy: -77.463
flat angles C4'-P-C4' energy: -102.834
flat angles P-C4'-P energy: -61.294
tors. eta vs tors. theta energy: -90.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1239.491502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.491502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.491502 (E_RNA)
where:
Base-Base interactions energy: -836.669
where: short stacking energy: -347.686
Base-Backbone interact. energy: -0.581
local terms energy: -402.241619
where:
bonds (distance) C4'-P energy: -87.801
bonds (distance) P-C4' energy: -80.758
flat angles C4'-P-C4' energy: -92.429
flat angles P-C4'-P energy: -68.043
tors. eta vs tors. theta energy: -73.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1125.503618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.503618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.503618 (E_RNA)
where:
Base-Base interactions energy: -746.205
where: short stacking energy: -336.718
Base-Backbone interact. energy: 0.740
local terms energy: -380.038230
where:
bonds (distance) C4'-P energy: -85.531
bonds (distance) P-C4' energy: -96.252
flat angles C4'-P-C4' energy: -73.270
flat angles P-C4'-P energy: -57.929
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: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -882.055029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.055029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.055029 (E_RNA)
where:
Base-Base interactions energy: -574.537
where: short stacking energy: -252.790
Base-Backbone interact. energy: -0.909
local terms energy: -306.609047
where:
bonds (distance) C4'-P energy: -75.344
bonds (distance) P-C4' energy: -68.152
flat angles C4'-P-C4' energy: -87.983
flat angles P-C4'-P energy: -48.454
tors. eta vs tors. theta energy: -26.675
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: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1898.940134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.940134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.940134 (E_RNA)
where:
Base-Base interactions energy: -1349.378
where: short stacking energy: -536.036
Base-Backbone interact. energy: 1.045
local terms energy: -550.608007
where:
bonds (distance) C4'-P energy: -97.706
bonds (distance) P-C4' energy: -103.456
flat angles C4'-P-C4' energy: -124.027
flat angles P-C4'-P energy: -74.257
tors. eta vs tors. theta energy: -151.164
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: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1806.823093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.823093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.823093 (E_RNA)
where:
Base-Base interactions energy: -1277.122
where: short stacking energy: -501.833
Base-Backbone interact. energy: -0.060
local terms energy: -529.641022
where:
bonds (distance) C4'-P energy: -106.436
bonds (distance) P-C4' energy: -88.962
flat angles C4'-P-C4' energy: -118.778
flat angles P-C4'-P energy: -74.592
tors. eta vs tors. theta energy: -140.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1735.043207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.043207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.043207 (E_RNA)
where:
Base-Base interactions energy: -1211.330
where: short stacking energy: -481.640
Base-Backbone interact. energy: -6.297
local terms energy: -517.416949
where:
bonds (distance) C4'-P energy: -109.675
bonds (distance) P-C4' energy: -95.662
flat angles C4'-P-C4' energy: -110.165
flat angles P-C4'-P energy: -70.581
tors. eta vs tors. theta energy: -131.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1583.642352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.642352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.642352 (E_RNA)
where:
Base-Base interactions energy: -1107.514
where: short stacking energy: -461.409
Base-Backbone interact. energy: -2.532
local terms energy: -473.596791
where:
bonds (distance) C4'-P energy: -87.533
bonds (distance) P-C4' energy: -93.521
flat angles C4'-P-C4' energy: -110.981
flat angles P-C4'-P energy: -62.590
tors. eta vs tors. theta energy: -118.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1528.231398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.231398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.231398 (E_RNA)
where:
Base-Base interactions energy: -1077.826
where: short stacking energy: -448.412
Base-Backbone interact. energy: -1.551
local terms energy: -448.854051
where:
bonds (distance) C4'-P energy: -80.646
bonds (distance) P-C4' energy: -81.583
flat angles C4'-P-C4' energy: -109.529
flat angles P-C4'-P energy: -59.640
tors. eta vs tors. theta energy: -117.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1518.613616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.613616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.613616 (E_RNA)
where:
Base-Base interactions energy: -1056.928
where: short stacking energy: -446.529
Base-Backbone interact. energy: -0.435
local terms energy: -461.250921
where:
bonds (distance) C4'-P energy: -92.518
bonds (distance) P-C4' energy: -87.119
flat angles C4'-P-C4' energy: -98.316
flat angles P-C4'-P energy: -64.156
tors. eta vs tors. theta energy: -119.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1368.031873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.031873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.031873 (E_RNA)
where:
Base-Base interactions energy: -962.231
where: short stacking energy: -386.587
Base-Backbone interact. energy: -0.575
local terms energy: -405.226044
where:
bonds (distance) C4'-P energy: -77.769
bonds (distance) P-C4' energy: -85.885
flat angles C4'-P-C4' energy: -90.408
flat angles P-C4'-P energy: -52.304
tors. eta vs tors. theta energy: -98.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1262.370796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.370796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.370796 (E_RNA)
where:
Base-Base interactions energy: -864.998
where: short stacking energy: -379.520
Base-Backbone interact. energy: -3.093
local terms energy: -394.279975
where:
bonds (distance) C4'-P energy: -88.894
bonds (distance) P-C4' energy: -84.014
flat angles C4'-P-C4' energy: -90.043
flat angles P-C4'-P energy: -46.214
tors. eta vs tors. theta energy: -85.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1157.639751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.639751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.639751 (E_RNA)
where:
Base-Base interactions energy: -769.909
where: short stacking energy: -340.262
Base-Backbone interact. energy: 0.521
local terms energy: -388.252006
where:
bonds (distance) C4'-P energy: -86.924
bonds (distance) P-C4' energy: -81.684
flat angles C4'-P-C4' energy: -80.917
flat angles P-C4'-P energy: -57.985
tors. eta vs tors. theta energy: -80.743
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: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -808.044763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.044763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.044763 (E_RNA)
where:
Base-Base interactions energy: -513.128
where: short stacking energy: -238.627
Base-Backbone interact. energy: 3.833
local terms energy: -298.749609
where:
bonds (distance) C4'-P energy: -79.082
bonds (distance) P-C4' energy: -78.342
flat angles C4'-P-C4' energy: -71.842
flat angles P-C4'-P energy: -44.742
tors. eta vs tors. theta energy: -24.741
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: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1881.494485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.494485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.494485 (E_RNA)
where:
Base-Base interactions energy: -1329.432
where: short stacking energy: -537.983
Base-Backbone interact. energy: -4.853
local terms energy: -547.210002
where:
bonds (distance) C4'-P energy: -99.752
bonds (distance) P-C4' energy: -107.039
flat angles C4'-P-C4' energy: -109.862
flat angles P-C4'-P energy: -83.939
tors. eta vs tors. theta energy: -146.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1798.035317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.035317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.035317 (E_RNA)
where:
Base-Base interactions energy: -1286.311
where: short stacking energy: -505.178
Base-Backbone interact. energy: -3.683
local terms energy: -508.041804
where:
bonds (distance) C4'-P energy: -93.943
bonds (distance) P-C4' energy: -88.164
flat angles C4'-P-C4' energy: -112.719
flat angles P-C4'-P energy: -73.997
tors. eta vs tors. theta energy: -139.220
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: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1738.468598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.468598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.468598 (E_RNA)
where:
Base-Base interactions energy: -1256.343
where: short stacking energy: -498.572
Base-Backbone interact. energy: -2.479
local terms energy: -479.646445
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -94.449
flat angles C4'-P-C4' energy: -103.037
flat angles P-C4'-P energy: -65.528
tors. eta vs tors. theta energy: -127.953
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: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1582.681321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.681321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.681321 (E_RNA)
where:
Base-Base interactions energy: -1088.726
where: short stacking energy: -443.939
Base-Backbone interact. energy: -0.080
local terms energy: -493.875286
where:
bonds (distance) C4'-P energy: -93.448
bonds (distance) P-C4' energy: -99.877
flat angles C4'-P-C4' energy: -107.465
flat angles P-C4'-P energy: -76.301
tors. eta vs tors. theta energy: -116.784
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: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1526.783875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.783875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.783875 (E_RNA)
where:
Base-Base interactions energy: -1060.979
where: short stacking energy: -433.845
Base-Backbone interact. energy: -3.691
local terms energy: -462.113981
where:
bonds (distance) C4'-P energy: -100.537
bonds (distance) P-C4' energy: -100.366
flat angles C4'-P-C4' energy: -100.148
flat angles P-C4'-P energy: -60.068
tors. eta vs tors. theta energy: -100.995
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: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1484.143821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.143821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.143821 (E_RNA)
where:
Base-Base interactions energy: -1051.369
where: short stacking energy: -433.707
Base-Backbone interact. energy: 0.998
local terms energy: -433.772791
where:
bonds (distance) C4'-P energy: -81.757
bonds (distance) P-C4' energy: -98.426
flat angles C4'-P-C4' energy: -96.806
flat angles P-C4'-P energy: -56.773
tors. eta vs tors. theta energy: -100.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1342.514729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.514729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.514729 (E_RNA)
where:
Base-Base interactions energy: -941.327
where: short stacking energy: -400.470
Base-Backbone interact. energy: 1.378
local terms energy: -402.566389
where:
bonds (distance) C4'-P energy: -75.286
bonds (distance) P-C4' energy: -91.415
flat angles C4'-P-C4' energy: -85.222
flat angles P-C4'-P energy: -59.408
tors. eta vs tors. theta energy: -91.236
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: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1362.028909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.028909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.028909 (E_RNA)
where:
Base-Base interactions energy: -955.182
where: short stacking energy: -376.988
Base-Backbone interact. energy: -2.189
local terms energy: -404.656987
where:
bonds (distance) C4'-P energy: -76.772
bonds (distance) P-C4' energy: -80.288
flat angles C4'-P-C4' energy: -101.791
flat angles P-C4'-P energy: -49.653
tors. eta vs tors. theta energy: -96.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1146.920546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.920546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.920546 (E_RNA)
where:
Base-Base interactions energy: -777.676
where: short stacking energy: -311.113
Base-Backbone interact. energy: -3.658
local terms energy: -365.586093
where:
bonds (distance) C4'-P energy: -86.792
bonds (distance) P-C4' energy: -71.916
flat angles C4'-P-C4' energy: -90.132
flat angles P-C4'-P energy: -47.320
tors. eta vs tors. theta energy: -69.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -759.734024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.734024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.734024 (E_RNA)
where:
Base-Base interactions energy: -455.919
where: short stacking energy: -219.208
Base-Backbone interact. energy: 1.293
local terms energy: -305.107808
where:
bonds (distance) C4'-P energy: -82.685
bonds (distance) P-C4' energy: -73.794
flat angles C4'-P-C4' energy: -77.053
flat angles P-C4'-P energy: -43.875
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1899.508724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.508724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.508724 (E_RNA)
where:
Base-Base interactions energy: -1333.055
where: short stacking energy: -530.023
Base-Backbone interact. energy: -1.233
local terms energy: -565.220412
where:
bonds (distance) C4'-P energy: -92.279
bonds (distance) P-C4' energy: -105.300
flat angles C4'-P-C4' energy: -121.404
flat angles P-C4'-P energy: -95.334
tors. eta vs tors. theta energy: -150.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1792.847039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.847039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.847039 (E_RNA)
where:
Base-Base interactions energy: -1264.270
where: short stacking energy: -512.354
Base-Backbone interact. energy: -1.312
local terms energy: -527.265591
where:
bonds (distance) C4'-P energy: -106.178
bonds (distance) P-C4' energy: -104.178
flat angles C4'-P-C4' energy: -107.023
flat angles P-C4'-P energy: -68.808
tors. eta vs tors. theta energy: -141.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1720.967548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.967548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.967548 (E_RNA)
where:
Base-Base interactions energy: -1240.136
where: short stacking energy: -513.226
Base-Backbone interact. energy: -2.065
local terms energy: -478.766454
where:
bonds (distance) C4'-P energy: -92.962
bonds (distance) P-C4' energy: -89.446
flat angles C4'-P-C4' energy: -99.048
flat angles P-C4'-P energy: -61.014
tors. eta vs tors. theta energy: -136.297
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: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1595.810212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.810212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.810212 (E_RNA)
where:
Base-Base interactions energy: -1149.486
where: short stacking energy: -472.551
Base-Backbone interact. energy: 1.829
local terms energy: -448.153721
where:
bonds (distance) C4'-P energy: -80.939
bonds (distance) P-C4' energy: -85.319
flat angles C4'-P-C4' energy: -107.509
flat angles P-C4'-P energy: -54.244
tors. eta vs tors. theta energy: -120.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1578.367817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.367817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.367817 (E_RNA)
where:
Base-Base interactions energy: -1117.150
where: short stacking energy: -450.265
Base-Backbone interact. energy: 1.856
local terms energy: -463.073803
where:
bonds (distance) C4'-P energy: -86.448
bonds (distance) P-C4' energy: -86.035
flat angles C4'-P-C4' energy: -111.803
flat angles P-C4'-P energy: -73.175
tors. eta vs tors. theta energy: -105.613
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: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1448.370383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.370383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.370383 (E_RNA)
where:
Base-Base interactions energy: -1003.091
where: short stacking energy: -413.732
Base-Backbone interact. energy: -1.638
local terms energy: -443.641452
where:
bonds (distance) C4'-P energy: -86.940
bonds (distance) P-C4' energy: -99.011
flat angles C4'-P-C4' energy: -101.804
flat angles P-C4'-P energy: -50.488
tors. eta vs tors. theta energy: -105.399
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: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1391.933074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.933074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.933074 (E_RNA)
where:
Base-Base interactions energy: -960.119
where: short stacking energy: -377.449
Base-Backbone interact. energy: -3.221
local terms energy: -428.593451
where:
bonds (distance) C4'-P energy: -91.476
bonds (distance) P-C4' energy: -91.678
flat angles C4'-P-C4' energy: -96.413
flat angles P-C4'-P energy: -59.941
tors. eta vs tors. theta energy: -89.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1275.848886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.848886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.848886 (E_RNA)
where:
Base-Base interactions energy: -898.153
where: short stacking energy: -374.674
Base-Backbone interact. energy: 0.498
local terms energy: -378.194066
where:
bonds (distance) C4'-P energy: -82.236
bonds (distance) P-C4' energy: -72.806
flat angles C4'-P-C4' energy: -89.331
flat angles P-C4'-P energy: -49.937
tors. eta vs tors. theta energy: -83.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1190.441755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.441755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.441755 (E_RNA)
where:
Base-Base interactions energy: -814.026
where: short stacking energy: -356.808
Base-Backbone interact. energy: 0.767
local terms energy: -377.182913
where:
bonds (distance) C4'-P energy: -74.394
bonds (distance) P-C4' energy: -95.837
flat angles C4'-P-C4' energy: -73.860
flat angles P-C4'-P energy: -50.943
tors. eta vs tors. theta energy: -82.150
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: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -743.998024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.998024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.998024 (E_RNA)
where:
Base-Base interactions energy: -424.587
where: short stacking energy: -200.715
Base-Backbone interact. energy: -1.784
local terms energy: -317.627332
where:
bonds (distance) C4'-P energy: -75.601
bonds (distance) P-C4' energy: -88.019
flat angles C4'-P-C4' energy: -78.628
flat angles P-C4'-P energy: -53.067
tors. eta vs tors. theta energy: -22.312
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: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1873.453080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.453080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.453080 (E_RNA)
where:
Base-Base interactions energy: -1291.374
where: short stacking energy: -540.041
Base-Backbone interact. energy: -4.465
local terms energy: -577.614440
where:
bonds (distance) C4'-P energy: -104.782
bonds (distance) P-C4' energy: -114.362
flat angles C4'-P-C4' energy: -118.977
flat angles P-C4'-P energy: -90.935
tors. eta vs tors. theta energy: -148.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1817.229377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.229377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.229377 (E_RNA)
where:
Base-Base interactions energy: -1297.521
where: short stacking energy: -519.932
Base-Backbone interact. energy: -3.498
local terms energy: -516.209752
where:
bonds (distance) C4'-P energy: -101.856
bonds (distance) P-C4' energy: -97.701
flat angles C4'-P-C4' energy: -110.619
flat angles P-C4'-P energy: -71.574
tors. eta vs tors. theta energy: -134.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1752.417588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.417588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.417588 (E_RNA)
where:
Base-Base interactions energy: -1247.203
where: short stacking energy: -515.214
Base-Backbone interact. energy: -5.185
local terms energy: -500.029249
where:
bonds (distance) C4'-P energy: -80.774
bonds (distance) P-C4' energy: -94.874
flat angles C4'-P-C4' energy: -114.194
flat angles P-C4'-P energy: -67.176
tors. eta vs tors. theta energy: -143.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1514.866229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.866229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.866229 (E_RNA)
where:
Base-Base interactions energy: -1070.123
where: short stacking energy: -434.607
Base-Backbone interact. energy: 3.143
local terms energy: -447.886249
where:
bonds (distance) C4'-P energy: -87.526
bonds (distance) P-C4' energy: -93.271
flat angles C4'-P-C4' energy: -101.146
flat angles P-C4'-P energy: -66.019
tors. eta vs tors. theta energy: -99.925
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: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1507.043550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.043550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.043550 (E_RNA)
where:
Base-Base interactions energy: -1055.371
where: short stacking energy: -418.318
Base-Backbone interact. energy: 2.874
local terms energy: -454.546323
where:
bonds (distance) C4'-P energy: -96.623
bonds (distance) P-C4' energy: -90.275
flat angles C4'-P-C4' energy: -106.195
flat angles P-C4'-P energy: -56.128
tors. eta vs tors. theta energy: -105.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1458.525566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.525566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.525566 (E_RNA)
where:
Base-Base interactions energy: -1051.000
where: short stacking energy: -432.193
Base-Backbone interact. energy: -0.020
local terms energy: -407.505211
where:
bonds (distance) C4'-P energy: -57.645
bonds (distance) P-C4' energy: -87.562
flat angles C4'-P-C4' energy: -93.844
flat angles P-C4'-P energy: -62.592
tors. eta vs tors. theta energy: -105.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1382.434709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.434709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.434709 (E_RNA)
where:
Base-Base interactions energy: -959.448
where: short stacking energy: -398.444
Base-Backbone interact. energy: -3.299
local terms energy: -419.688105
where:
bonds (distance) C4'-P energy: -86.746
bonds (distance) P-C4' energy: -86.112
flat angles C4'-P-C4' energy: -98.461
flat angles P-C4'-P energy: -57.072
tors. eta vs tors. theta energy: -91.298
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: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1263.964815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.964815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.964815 (E_RNA)
where:
Base-Base interactions energy: -885.036
where: short stacking energy: -330.677
Base-Backbone interact. energy: -0.403
local terms energy: -378.525792
where:
bonds (distance) C4'-P energy: -81.786
bonds (distance) P-C4' energy: -92.362
flat angles C4'-P-C4' energy: -84.495
flat angles P-C4'-P energy: -50.772
tors. eta vs tors. theta energy: -69.110
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: 22
Temperature: 1.300000
Total energy: -1147.476042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.476042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.476042 (E_RNA)
where:
Base-Base interactions energy: -801.386
where: short stacking energy: -326.646
Base-Backbone interact. energy: -1.731
local terms energy: -344.359668
where:
bonds (distance) C4'-P energy: -74.527
bonds (distance) P-C4' energy: -81.674
flat angles C4'-P-C4' energy: -75.076
flat angles P-C4'-P energy: -50.445
tors. eta vs tors. theta energy: -62.638
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: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -768.455112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.455112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.455112 (E_RNA)
where:
Base-Base interactions energy: -481.815
where: short stacking energy: -241.140
Base-Backbone interact. energy: -0.006
local terms energy: -286.634205
where:
bonds (distance) C4'-P energy: -66.278
bonds (distance) P-C4' energy: -71.764
flat angles C4'-P-C4' energy: -75.382
flat angles P-C4'-P energy: -54.337
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1863.353154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.353154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.353154 (E_RNA)
where:
Base-Base interactions energy: -1309.529
where: short stacking energy: -526.783
Base-Backbone interact. energy: 0.061
local terms energy: -553.884885
where:
bonds (distance) C4'-P energy: -103.703
bonds (distance) P-C4' energy: -109.751
flat angles C4'-P-C4' energy: -110.481
flat angles P-C4'-P energy: -89.253
tors. eta vs tors. theta energy: -140.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1838.496617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.496617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.496617 (E_RNA)
where:
Base-Base interactions energy: -1314.728
where: short stacking energy: -499.822
Base-Backbone interact. energy: -2.491
local terms energy: -521.277756
where:
bonds (distance) C4'-P energy: -92.598
bonds (distance) P-C4' energy: -105.660
flat angles C4'-P-C4' energy: -108.672
flat angles P-C4'-P energy: -76.245
tors. eta vs tors. theta energy: -138.103
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: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1718.781968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.781968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.781968 (E_RNA)
where:
Base-Base interactions energy: -1202.904
where: short stacking energy: -484.873
Base-Backbone interact. energy: -1.610
local terms energy: -514.267969
where:
bonds (distance) C4'-P energy: -104.710
bonds (distance) P-C4' energy: -89.721
flat angles C4'-P-C4' energy: -117.159
flat angles P-C4'-P energy: -67.414
tors. eta vs tors. theta energy: -135.264
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: 4, replica: 6
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1553.233998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.233998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.233998 (E_RNA)
where:
Base-Base interactions energy: -1064.865
where: short stacking energy: -438.002
Base-Backbone interact. energy: 3.565
local terms energy: -491.934657
where:
bonds (distance) C4'-P energy: -99.394
bonds (distance) P-C4' energy: -97.426
flat angles C4'-P-C4' energy: -101.573
flat angles P-C4'-P energy: -71.836
tors. eta vs tors. theta energy: -121.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1553.487040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.487040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.487040 (E_RNA)
where:
Base-Base interactions energy: -1085.462
where: short stacking energy: -436.353
Base-Backbone interact. energy: -6.033
local terms energy: -461.991363
where:
bonds (distance) C4'-P energy: -91.656
bonds (distance) P-C4' energy: -86.361
flat angles C4'-P-C4' energy: -103.789
flat angles P-C4'-P energy: -65.231
tors. eta vs tors. theta energy: -114.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1467.765928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.765928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.765928 (E_RNA)
where:
Base-Base interactions energy: -995.134
where: short stacking energy: -407.468
Base-Backbone interact. energy: -3.373
local terms energy: -469.259435
where:
bonds (distance) C4'-P energy: -93.455
bonds (distance) P-C4' energy: -99.175
flat angles C4'-P-C4' energy: -100.581
flat angles P-C4'-P energy: -73.926
tors. eta vs tors. theta energy: -102.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1396.952149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.952149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.952149 (E_RNA)
where:
Base-Base interactions energy: -994.871
where: short stacking energy: -430.243
Base-Backbone interact. energy: -1.031
local terms energy: -401.049896
where:
bonds (distance) C4'-P energy: -70.169
bonds (distance) P-C4' energy: -81.759
flat angles C4'-P-C4' energy: -84.029
flat angles P-C4'-P energy: -60.020
tors. eta vs tors. theta energy: -105.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1208.105311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.105311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.105311 (E_RNA)
where:
Base-Base interactions energy: -813.177
where: short stacking energy: -340.335
Base-Backbone interact. energy: 2.985
local terms energy: -397.913775
where:
bonds (distance) C4'-P energy: -91.860
bonds (distance) P-C4' energy: -83.240
flat angles C4'-P-C4' energy: -94.512
flat angles P-C4'-P energy: -55.935
tors. eta vs tors. theta energy: -72.367
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: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1109.997481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.997481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.997481 (E_RNA)
where:
Base-Base interactions energy: -752.971
where: short stacking energy: -328.456
Base-Backbone interact. energy: 0.294
local terms energy: -357.320484
where:
bonds (distance) C4'-P energy: -77.738
bonds (distance) P-C4' energy: -78.423
flat angles C4'-P-C4' energy: -90.846
flat angles P-C4'-P energy: -43.249
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: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -744.427240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.427240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.427240 (E_RNA)
where:
Base-Base interactions energy: -443.661
where: short stacking energy: -231.375
Base-Backbone interact. energy: -2.435
local terms energy: -298.331006
where:
bonds (distance) C4'-P energy: -59.520
bonds (distance) P-C4' energy: -87.651
flat angles C4'-P-C4' energy: -70.604
flat angles P-C4'-P energy: -50.023
tors. eta vs tors. theta energy: -30.533
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: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1865.367036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.367036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.367036 (E_RNA)
where:
Base-Base interactions energy: -1314.374
where: short stacking energy: -535.765
Base-Backbone interact. energy: -1.919
local terms energy: -549.073446
where:
bonds (distance) C4'-P energy: -106.538
bonds (distance) P-C4' energy: -105.970
flat angles C4'-P-C4' energy: -116.222
flat angles P-C4'-P energy: -73.035
tors. eta vs tors. theta energy: -147.308
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: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1834.260078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.260078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.260078 (E_RNA)
where:
Base-Base interactions energy: -1295.318
where: short stacking energy: -539.547
Base-Backbone interact. energy: -1.047
local terms energy: -537.894988
where:
bonds (distance) C4'-P energy: -101.152
bonds (distance) P-C4' energy: -96.223
flat angles C4'-P-C4' energy: -118.136
flat angles P-C4'-P energy: -75.694
tors. eta vs tors. theta energy: -146.690
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: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1698.494141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.494141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.494141 (E_RNA)
where:
Base-Base interactions energy: -1194.408
where: short stacking energy: -481.920
Base-Backbone interact. energy: -3.156
local terms energy: -500.930128
where:
bonds (distance) C4'-P energy: -93.256
bonds (distance) P-C4' energy: -100.384
flat angles C4'-P-C4' energy: -103.873
flat angles P-C4'-P energy: -73.350
tors. eta vs tors. theta energy: -130.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1568.050386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.050386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.050386 (E_RNA)
where:
Base-Base interactions energy: -1096.778
where: short stacking energy: -477.571
Base-Backbone interact. energy: -0.886
local terms energy: -470.386152
where:
bonds (distance) C4'-P energy: -85.905
bonds (distance) P-C4' energy: -81.443
flat angles C4'-P-C4' energy: -97.414
flat angles P-C4'-P energy: -72.230
tors. eta vs tors. theta energy: -133.394
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: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1565.728601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.728601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.728601 (E_RNA)
where:
Base-Base interactions energy: -1118.506
where: short stacking energy: -452.849
Base-Backbone interact. energy: -0.434
local terms energy: -446.789181
where:
bonds (distance) C4'-P energy: -79.032
bonds (distance) P-C4' energy: -99.492
flat angles C4'-P-C4' energy: -97.256
flat angles P-C4'-P energy: -63.424
tors. eta vs tors. theta energy: -107.584
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: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1483.457001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.457001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.457001 (E_RNA)
where:
Base-Base interactions energy: -1037.539
where: short stacking energy: -393.836
Base-Backbone interact. energy: 1.374
local terms energy: -447.292460
where:
bonds (distance) C4'-P energy: -100.686
bonds (distance) P-C4' energy: -88.943
flat angles C4'-P-C4' energy: -100.137
flat angles P-C4'-P energy: -59.597
tors. eta vs tors. theta energy: -97.928
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: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1363.342054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.342054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.342054 (E_RNA)
where:
Base-Base interactions energy: -951.919
where: short stacking energy: -390.788
Base-Backbone interact. energy: -0.278
local terms energy: -411.144639
where:
bonds (distance) C4'-P energy: -84.567
bonds (distance) P-C4' energy: -79.536
flat angles C4'-P-C4' energy: -101.612
flat angles P-C4'-P energy: -60.810
tors. eta vs tors. theta energy: -84.619
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: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1221.498087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.498087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.498087 (E_RNA)
where:
Base-Base interactions energy: -825.986
where: short stacking energy: -375.514
Base-Backbone interact. energy: -1.917
local terms energy: -393.594803
where:
bonds (distance) C4'-P energy: -78.108
bonds (distance) P-C4' energy: -75.404
flat angles C4'-P-C4' energy: -101.970
flat angles P-C4'-P energy: -47.583
tors. eta vs tors. theta energy: -90.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1128.284230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.284230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.284230 (E_RNA)
where:
Base-Base interactions energy: -757.250
where: short stacking energy: -323.679
Base-Backbone interact. energy: -1.558
local terms energy: -369.476988
where:
bonds (distance) C4'-P energy: -76.756
bonds (distance) P-C4' energy: -92.688
flat angles C4'-P-C4' energy: -75.567
flat angles P-C4'-P energy: -66.067
tors. eta vs tors. theta energy: -58.398
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: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -779.009673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.009673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.009673 (E_RNA)
where:
Base-Base interactions energy: -488.019
where: short stacking energy: -220.896
Base-Backbone interact. energy: -3.685
local terms energy: -287.305857
where:
bonds (distance) C4'-P energy: -80.785
bonds (distance) P-C4' energy: -85.489
flat angles C4'-P-C4' energy: -69.845
flat angles P-C4'-P energy: -35.626
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1837.049667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.049667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.049667 (E_RNA)
where:
Base-Base interactions energy: -1319.497
where: short stacking energy: -517.120
Base-Backbone interact. energy: -3.207
local terms energy: -514.345793
where:
bonds (distance) C4'-P energy: -97.943
bonds (distance) P-C4' energy: -98.558
flat angles C4'-P-C4' energy: -107.330
flat angles P-C4'-P energy: -71.151
tors. eta vs tors. theta energy: -139.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1820.267227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.267227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.267227 (E_RNA)
where:
Base-Base interactions energy: -1286.266
where: short stacking energy: -516.992
Base-Backbone interact. energy: -4.124
local terms energy: -529.876952
where:
bonds (distance) C4'-P energy: -99.863
bonds (distance) P-C4' energy: -106.121
flat angles C4'-P-C4' energy: -108.604
flat angles P-C4'-P energy: -81.365
tors. eta vs tors. theta energy: -133.925
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: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1689.064145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.064145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.064145 (E_RNA)
where:
Base-Base interactions energy: -1196.883
where: short stacking energy: -481.917
Base-Backbone interact. energy: -4.256
local terms energy: -487.925090
where:
bonds (distance) C4'-P energy: -98.052
bonds (distance) P-C4' energy: -78.856
flat angles C4'-P-C4' energy: -118.849
flat angles P-C4'-P energy: -70.598
tors. eta vs tors. theta energy: -121.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1571.787348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.787348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.787348 (E_RNA)
where:
Base-Base interactions energy: -1099.018
where: short stacking energy: -448.287
Base-Backbone interact. energy: -2.241
local terms energy: -470.528482
where:
bonds (distance) C4'-P energy: -90.154
bonds (distance) P-C4' energy: -102.712
flat angles C4'-P-C4' energy: -102.741
flat angles P-C4'-P energy: -60.154
tors. eta vs tors. theta energy: -114.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1546.408165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.408165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.408165 (E_RNA)
where:
Base-Base interactions energy: -1083.004
where: short stacking energy: -445.481
Base-Backbone interact. energy: -2.913
local terms energy: -460.491701
where:
bonds (distance) C4'-P energy: -94.213
bonds (distance) P-C4' energy: -94.000
flat angles C4'-P-C4' energy: -103.541
flat angles P-C4'-P energy: -59.592
tors. eta vs tors. theta energy: -109.146
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: 25
Temperature: 1.150000
Total energy: -1446.885899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.885899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.885899 (E_RNA)
where:
Base-Base interactions energy: -997.132
where: short stacking energy: -389.937
Base-Backbone interact. energy: 0.090
local terms energy: -449.843882
where:
bonds (distance) C4'-P energy: -88.269
bonds (distance) P-C4' energy: -89.227
flat angles C4'-P-C4' energy: -95.168
flat angles P-C4'-P energy: -70.154
tors. eta vs tors. theta energy: -107.025
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: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1371.078162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.078162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.078162 (E_RNA)
where:
Base-Base interactions energy: -962.987
where: short stacking energy: -406.683
Base-Backbone interact. energy: -3.293
local terms energy: -404.798924
where:
bonds (distance) C4'-P energy: -88.157
bonds (distance) P-C4' energy: -98.094
flat angles C4'-P-C4' energy: -75.462
flat angles P-C4'-P energy: -53.710
tors. eta vs tors. theta energy: -89.376
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: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1211.323728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.323728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.323728 (E_RNA)
where:
Base-Base interactions energy: -838.730
where: short stacking energy: -354.929
Base-Backbone interact. energy: -1.049
local terms energy: -371.544828
where:
bonds (distance) C4'-P energy: -66.965
bonds (distance) P-C4' energy: -90.812
flat angles C4'-P-C4' energy: -84.993
flat angles P-C4'-P energy: -42.385
tors. eta vs tors. theta energy: -86.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1104.051107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.051107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.051107 (E_RNA)
where:
Base-Base interactions energy: -736.096
where: short stacking energy: -318.706
Base-Backbone interact. energy: -3.802
local terms energy: -364.153124
where:
bonds (distance) C4'-P energy: -84.110
bonds (distance) P-C4' energy: -78.913
flat angles C4'-P-C4' energy: -86.401
flat angles P-C4'-P energy: -51.649
tors. eta vs tors. theta energy: -63.080
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: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -755.851873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.851873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.851873 (E_RNA)
where:
Base-Base interactions energy: -462.968
where: short stacking energy: -188.888
Base-Backbone interact. energy: -0.162
local terms energy: -292.721528
where:
bonds (distance) C4'-P energy: -75.799
bonds (distance) P-C4' energy: -82.177
flat angles C4'-P-C4' energy: -81.264
flat angles P-C4'-P energy: -30.606
tors. eta vs tors. theta energy: -22.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1850.062613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.062613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.062613 (E_RNA)
where:
Base-Base interactions energy: -1325.345
where: short stacking energy: -541.119
Base-Backbone interact. energy: -3.662
local terms energy: -521.055714
where:
bonds (distance) C4'-P energy: -83.212
bonds (distance) P-C4' energy: -94.471
flat angles C4'-P-C4' energy: -115.019
flat angles P-C4'-P energy: -80.928
tors. eta vs tors. theta energy: -147.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1800.016010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.016010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.016010 (E_RNA)
where:
Base-Base interactions energy: -1275.978
where: short stacking energy: -489.909
Base-Backbone interact. energy: -4.912
local terms energy: -519.125746
where:
bonds (distance) C4'-P energy: -100.976
bonds (distance) P-C4' energy: -88.504
flat angles C4'-P-C4' energy: -117.262
flat angles P-C4'-P energy: -75.393
tors. eta vs tors. theta energy: -136.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1666.774716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.774716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.774716 (E_RNA)
where:
Base-Base interactions energy: -1174.615
where: short stacking energy: -478.420
Base-Backbone interact. energy: -0.463
local terms energy: -491.696726
where:
bonds (distance) C4'-P energy: -95.227
bonds (distance) P-C4' energy: -108.673
flat angles C4'-P-C4' energy: -101.507
flat angles P-C4'-P energy: -68.917
tors. eta vs tors. theta energy: -117.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1583.905229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.905229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.905229 (E_RNA)
where:
Base-Base interactions energy: -1122.064
where: short stacking energy: -459.431
Base-Backbone interact. energy: 1.184
local terms energy: -463.025713
where:
bonds (distance) C4'-P energy: -74.570
bonds (distance) P-C4' energy: -101.389
flat angles C4'-P-C4' energy: -102.338
flat angles P-C4'-P energy: -63.242
tors. eta vs tors. theta energy: -121.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1542.334940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.334940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.334940 (E_RNA)
where:
Base-Base interactions energy: -1095.553
where: short stacking energy: -433.834
Base-Backbone interact. energy: -1.348
local terms energy: -445.433357
where:
bonds (distance) C4'-P energy: -81.997
bonds (distance) P-C4' energy: -94.975
flat angles C4'-P-C4' energy: -103.440
flat angles P-C4'-P energy: -67.643
tors. eta vs tors. theta energy: -97.378
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: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1484.401180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.401180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.401180 (E_RNA)
where:
Base-Base interactions energy: -1054.379
where: short stacking energy: -395.272
Base-Backbone interact. energy: -3.160
local terms energy: -426.862765
where:
bonds (distance) C4'-P energy: -85.962
bonds (distance) P-C4' energy: -79.082
flat angles C4'-P-C4' energy: -105.521
flat angles P-C4'-P energy: -61.818
tors. eta vs tors. theta energy: -94.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1381.151074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.151074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.151074 (E_RNA)
where:
Base-Base interactions energy: -941.375
where: short stacking energy: -409.303
Base-Backbone interact. energy: 3.392
local terms energy: -443.168103
where:
bonds (distance) C4'-P energy: -89.343
bonds (distance) P-C4' energy: -85.276
flat angles C4'-P-C4' energy: -89.801
flat angles P-C4'-P energy: -71.549
tors. eta vs tors. theta energy: -107.200
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: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1230.941839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.941839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.941839 (E_RNA)
where:
Base-Base interactions energy: -861.642
where: short stacking energy: -360.028
Base-Backbone interact. energy: -1.782
local terms energy: -367.518041
where:
bonds (distance) C4'-P energy: -81.261
bonds (distance) P-C4' energy: -80.263
flat angles C4'-P-C4' energy: -84.624
flat angles P-C4'-P energy: -49.896
tors. eta vs tors. theta energy: -71.473
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: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1089.363072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.363072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.363072 (E_RNA)
where:
Base-Base interactions energy: -729.326
where: short stacking energy: -300.361
Base-Backbone interact. energy: 0.422
local terms energy: -360.458853
where:
bonds (distance) C4'-P energy: -75.596
bonds (distance) P-C4' energy: -72.469
flat angles C4'-P-C4' energy: -92.824
flat angles P-C4'-P energy: -56.622
tors. eta vs tors. theta energy: -62.947
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: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -759.506303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.506303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.506303 (E_RNA)
where:
Base-Base interactions energy: -464.604
where: short stacking energy: -203.335
Base-Backbone interact. energy: -1.630
local terms energy: -293.272279
where:
bonds (distance) C4'-P energy: -77.449
bonds (distance) P-C4' energy: -77.998
flat angles C4'-P-C4' energy: -82.642
flat angles P-C4'-P energy: -24.103
tors. eta vs tors. theta energy: -31.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1858.685604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.685604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.685604 (E_RNA)
where:
Base-Base interactions energy: -1309.315
where: short stacking energy: -543.304
Base-Backbone interact. energy: -3.589
local terms energy: -545.781391
where:
bonds (distance) C4'-P energy: -96.572
bonds (distance) P-C4' energy: -87.965
flat angles C4'-P-C4' energy: -118.418
flat angles P-C4'-P energy: -91.031
tors. eta vs tors. theta energy: -151.796
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: 27
Temperature: 0.950000
Total energy: -1808.492840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.492840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.492840 (E_RNA)
where:
Base-Base interactions energy: -1281.104
where: short stacking energy: -508.320
Base-Backbone interact. energy: -1.606
local terms energy: -525.782456
where:
bonds (distance) C4'-P energy: -94.497
bonds (distance) P-C4' energy: -94.738
flat angles C4'-P-C4' energy: -114.992
flat angles P-C4'-P energy: -87.247
tors. eta vs tors. theta energy: -134.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1683.769353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.769353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.769353 (E_RNA)
where:
Base-Base interactions energy: -1199.947
where: short stacking energy: -481.282
Base-Backbone interact. energy: -1.024
local terms energy: -482.798694
where:
bonds (distance) C4'-P energy: -87.524
bonds (distance) P-C4' energy: -106.276
flat angles C4'-P-C4' energy: -99.642
flat angles P-C4'-P energy: -70.003
tors. eta vs tors. theta energy: -119.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1635.589526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.589526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.589526 (E_RNA)
where:
Base-Base interactions energy: -1161.473
where: short stacking energy: -458.228
Base-Backbone interact. energy: -4.141
local terms energy: -469.976017
where:
bonds (distance) C4'-P energy: -94.679
bonds (distance) P-C4' energy: -81.576
flat angles C4'-P-C4' energy: -110.490
flat angles P-C4'-P energy: -67.713
tors. eta vs tors. theta energy: -115.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1564.008122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.008122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.008122 (E_RNA)
where:
Base-Base interactions energy: -1084.206
where: short stacking energy: -447.928
Base-Backbone interact. energy: -3.208
local terms energy: -476.593557
where:
bonds (distance) C4'-P energy: -85.829
bonds (distance) P-C4' energy: -83.471
flat angles C4'-P-C4' energy: -114.674
flat angles P-C4'-P energy: -68.021
tors. eta vs tors. theta energy: -124.598
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: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1466.907311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.907311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.907311 (E_RNA)
where:
Base-Base interactions energy: -999.480
where: short stacking energy: -400.373
Base-Backbone interact. energy: -2.439
local terms energy: -464.988470
where:
bonds (distance) C4'-P energy: -85.306
bonds (distance) P-C4' energy: -109.185
flat angles C4'-P-C4' energy: -105.403
flat angles P-C4'-P energy: -71.372
tors. eta vs tors. theta energy: -93.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1387.519465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.519465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.519465 (E_RNA)
where:
Base-Base interactions energy: -971.691
where: short stacking energy: -414.908
Base-Backbone interact. energy: 3.705
local terms energy: -419.532914
where:
bonds (distance) C4'-P energy: -79.114
bonds (distance) P-C4' energy: -77.171
flat angles C4'-P-C4' energy: -99.470
flat angles P-C4'-P energy: -66.817
tors. eta vs tors. theta energy: -96.961
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: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1213.668757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.668757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.668757 (E_RNA)
where:
Base-Base interactions energy: -826.791
where: short stacking energy: -341.632
Base-Backbone interact. energy: -0.301
local terms energy: -386.577015
where:
bonds (distance) C4'-P energy: -96.930
bonds (distance) P-C4' energy: -79.826
flat angles C4'-P-C4' energy: -78.656
flat angles P-C4'-P energy: -55.206
tors. eta vs tors. theta energy: -75.959
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: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1180.215018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.215018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.215018 (E_RNA)
where:
Base-Base interactions energy: -783.674
where: short stacking energy: -306.972
Base-Backbone interact. energy: -0.960
local terms energy: -395.581422
where:
bonds (distance) C4'-P energy: -78.882
bonds (distance) P-C4' energy: -86.266
flat angles C4'-P-C4' energy: -97.973
flat angles P-C4'-P energy: -60.230
tors. eta vs tors. theta energy: -72.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -791.798288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.798288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.798288 (E_RNA)
where:
Base-Base interactions energy: -464.407
where: short stacking energy: -214.553
Base-Backbone interact. energy: -2.998
local terms energy: -324.392766
where:
bonds (distance) C4'-P energy: -85.334
bonds (distance) P-C4' energy: -93.028
flat angles C4'-P-C4' energy: -74.276
flat angles P-C4'-P energy: -43.749
tors. eta vs tors. theta energy: -28.006
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: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1885.728287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.728287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.728287 (E_RNA)
where:
Base-Base interactions energy: -1335.567
where: short stacking energy: -534.989
Base-Backbone interact. energy: -3.138
local terms energy: -547.022910
where:
bonds (distance) C4'-P energy: -93.503
bonds (distance) P-C4' energy: -108.233
flat angles C4'-P-C4' energy: -121.647
flat angles P-C4'-P energy: -77.095
tors. eta vs tors. theta energy: -146.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1783.799861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.799861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.799861 (E_RNA)
where:
Base-Base interactions energy: -1251.134
where: short stacking energy: -519.442
Base-Backbone interact. energy: -3.400
local terms energy: -529.265841
where:
bonds (distance) C4'-P energy: -100.865
bonds (distance) P-C4' energy: -100.739
flat angles C4'-P-C4' energy: -107.519
flat angles P-C4'-P energy: -80.731
tors. eta vs tors. theta energy: -139.412
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: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1686.075061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.075061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.075061 (E_RNA)
where:
Base-Base interactions energy: -1179.003
where: short stacking energy: -463.415
Base-Backbone interact. energy: -1.847
local terms energy: -505.224588
where:
bonds (distance) C4'-P energy: -97.435
bonds (distance) P-C4' energy: -114.938
flat angles C4'-P-C4' energy: -107.421
flat angles P-C4'-P energy: -72.728
tors. eta vs tors. theta energy: -112.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1626.144859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.144859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.144859 (E_RNA)
where:
Base-Base interactions energy: -1153.804
where: short stacking energy: -490.748
Base-Backbone interact. energy: -0.577
local terms energy: -471.764583
where:
bonds (distance) C4'-P energy: -87.268
bonds (distance) P-C4' energy: -83.360
flat angles C4'-P-C4' energy: -106.484
flat angles P-C4'-P energy: -63.658
tors. eta vs tors. theta energy: -130.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1524.867352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.867352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.867352 (E_RNA)
where:
Base-Base interactions energy: -1066.055
where: short stacking energy: -448.411
Base-Backbone interact. energy: -0.748
local terms energy: -458.064416
where:
bonds (distance) C4'-P energy: -81.104
bonds (distance) P-C4' energy: -93.149
flat angles C4'-P-C4' energy: -99.686
flat angles P-C4'-P energy: -70.048
tors. eta vs tors. theta energy: -114.077
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: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1453.574041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.574041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.574041 (E_RNA)
where:
Base-Base interactions energy: -1016.130
where: short stacking energy: -399.321
Base-Backbone interact. energy: -0.566
local terms energy: -436.878747
where:
bonds (distance) C4'-P energy: -87.261
bonds (distance) P-C4' energy: -91.939
flat angles C4'-P-C4' energy: -100.342
flat angles P-C4'-P energy: -58.080
tors. eta vs tors. theta energy: -99.257
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: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1354.650637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.650637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.650637 (E_RNA)
where:
Base-Base interactions energy: -922.434
where: short stacking energy: -388.736
Base-Backbone interact. energy: -1.045
local terms energy: -431.171920
where:
bonds (distance) C4'-P energy: -90.785
bonds (distance) P-C4' energy: -99.688
flat angles C4'-P-C4' energy: -102.257
flat angles P-C4'-P energy: -60.291
tors. eta vs tors. theta energy: -78.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1284.316937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.316937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.316937 (E_RNA)
where:
Base-Base interactions energy: -854.037
where: short stacking energy: -340.472
Base-Backbone interact. energy: 1.052
local terms energy: -431.332390
where:
bonds (distance) C4'-P energy: -93.120
bonds (distance) P-C4' energy: -89.312
flat angles C4'-P-C4' energy: -90.059
flat angles P-C4'-P energy: -75.316
tors. eta vs tors. theta energy: -83.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1178.461133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.461133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.461133 (E_RNA)
where:
Base-Base interactions energy: -799.667
where: short stacking energy: -347.489
Base-Backbone interact. energy: -2.871
local terms energy: -375.923192
where:
bonds (distance) C4'-P energy: -68.350
bonds (distance) P-C4' energy: -81.907
flat angles C4'-P-C4' energy: -99.017
flat angles P-C4'-P energy: -49.505
tors. eta vs tors. theta energy: -77.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -827.439685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.439685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.439685 (E_RNA)
where:
Base-Base interactions energy: -518.737
where: short stacking energy: -239.843
Base-Backbone interact. energy: -0.475
local terms energy: -308.227440
where:
bonds (distance) C4'-P energy: -80.674
bonds (distance) P-C4' energy: -77.866
flat angles C4'-P-C4' energy: -73.557
flat angles P-C4'-P energy: -50.485
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1862.444071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.444071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.444071 (E_RNA)
where:
Base-Base interactions energy: -1318.026
where: short stacking energy: -514.657
Base-Backbone interact. energy: -3.013
local terms energy: -541.404809
where:
bonds (distance) C4'-P energy: -88.174
bonds (distance) P-C4' energy: -106.946
flat angles C4'-P-C4' energy: -113.179
flat angles P-C4'-P energy: -87.623
tors. eta vs tors. theta energy: -145.482
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: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1758.815763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.815763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.815763 (E_RNA)
where:
Base-Base interactions energy: -1250.547
where: short stacking energy: -502.796
Base-Backbone interact. energy: -1.296
local terms energy: -506.972742
where:
bonds (distance) C4'-P energy: -89.874
bonds (distance) P-C4' energy: -88.275
flat angles C4'-P-C4' energy: -111.386
flat angles P-C4'-P energy: -78.474
tors. eta vs tors. theta energy: -138.963
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: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1727.459654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.459654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.459654 (E_RNA)
where:
Base-Base interactions energy: -1231.120
where: short stacking energy: -483.157
Base-Backbone interact. energy: -1.193
local terms energy: -495.146526
where:
bonds (distance) C4'-P energy: -92.549
bonds (distance) P-C4' energy: -92.516
flat angles C4'-P-C4' energy: -115.903
flat angles P-C4'-P energy: -77.623
tors. eta vs tors. theta energy: -116.555
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: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1616.034267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.034267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.034267 (E_RNA)
where:
Base-Base interactions energy: -1119.022
where: short stacking energy: -444.427
Base-Backbone interact. energy: 1.526
local terms energy: -498.537553
where:
bonds (distance) C4'-P energy: -89.723
bonds (distance) P-C4' energy: -107.225
flat angles C4'-P-C4' energy: -112.024
flat angles P-C4'-P energy: -69.580
tors. eta vs tors. theta energy: -119.986
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: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1511.692623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.692623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.692623 (E_RNA)
where:
Base-Base interactions energy: -1055.740
where: short stacking energy: -443.425
Base-Backbone interact. energy: -1.211
local terms energy: -454.742124
where:
bonds (distance) C4'-P energy: -83.435
bonds (distance) P-C4' energy: -79.691
flat angles C4'-P-C4' energy: -109.966
flat angles P-C4'-P energy: -70.868
tors. eta vs tors. theta energy: -110.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1443.333455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.333455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.333455 (E_RNA)
where:
Base-Base interactions energy: -984.335
where: short stacking energy: -411.675
Base-Backbone interact. energy: -0.013
local terms energy: -458.984761
where:
bonds (distance) C4'-P energy: -85.744
bonds (distance) P-C4' energy: -93.510
flat angles C4'-P-C4' energy: -106.150
flat angles P-C4'-P energy: -69.725
tors. eta vs tors. theta energy: -103.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1367.436839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.436839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.436839 (E_RNA)
where:
Base-Base interactions energy: -941.342
where: short stacking energy: -402.836
Base-Backbone interact. energy: -3.158
local terms energy: -422.936901
where:
bonds (distance) C4'-P energy: -91.737
bonds (distance) P-C4' energy: -88.382
flat angles C4'-P-C4' energy: -91.838
flat angles P-C4'-P energy: -63.801
tors. eta vs tors. theta energy: -87.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1258.809716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.809716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.809716 (E_RNA)
where:
Base-Base interactions energy: -843.261
where: short stacking energy: -359.694
Base-Backbone interact. energy: 2.921
local terms energy: -418.470302
where:
bonds (distance) C4'-P energy: -95.959
bonds (distance) P-C4' energy: -89.089
flat angles C4'-P-C4' energy: -97.164
flat angles P-C4'-P energy: -47.575
tors. eta vs tors. theta energy: -88.684
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: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1115.209869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.209869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.209869 (E_RNA)
where:
Base-Base interactions energy: -748.558
where: short stacking energy: -307.356
Base-Backbone interact. energy: -1.472
local terms energy: -365.179470
where:
bonds (distance) C4'-P energy: -68.253
bonds (distance) P-C4' energy: -85.393
flat angles C4'-P-C4' energy: -93.529
flat angles P-C4'-P energy: -55.676
tors. eta vs tors. theta energy: -62.330
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: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -771.151200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.151200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.151200 (E_RNA)
where:
Base-Base interactions energy: -439.484
where: short stacking energy: -205.732
Base-Backbone interact. energy: 7.437
local terms energy: -339.103654
where:
bonds (distance) C4'-P energy: -86.087
bonds (distance) P-C4' energy: -92.341
flat angles C4'-P-C4' energy: -96.746
flat angles P-C4'-P energy: -37.410
tors. eta vs tors. theta energy: -26.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1853.206660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.206660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.206660 (E_RNA)
where:
Base-Base interactions energy: -1309.016
where: short stacking energy: -513.088
Base-Backbone interact. energy: -5.554
local terms energy: -538.637263
where:
bonds (distance) C4'-P energy: -92.658
bonds (distance) P-C4' energy: -105.571
flat angles C4'-P-C4' energy: -121.577
flat angles P-C4'-P energy: -75.950
tors. eta vs tors. theta energy: -142.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1755.867302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.867302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.867302 (E_RNA)
where:
Base-Base interactions energy: -1240.054
where: short stacking energy: -485.141
Base-Backbone interact. energy: -6.130
local terms energy: -509.682607
where:
bonds (distance) C4'-P energy: -99.000
bonds (distance) P-C4' energy: -98.786
flat angles C4'-P-C4' energy: -103.935
flat angles P-C4'-P energy: -71.936
tors. eta vs tors. theta energy: -136.026
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: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1676.822582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.822582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.822582 (E_RNA)
where:
Base-Base interactions energy: -1184.207
where: short stacking energy: -469.494
Base-Backbone interact. energy: 1.172
local terms energy: -493.787585
where:
bonds (distance) C4'-P energy: -89.710
bonds (distance) P-C4' energy: -102.502
flat angles C4'-P-C4' energy: -110.321
flat angles P-C4'-P energy: -72.098
tors. eta vs tors. theta energy: -119.157
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: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1597.703473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.703473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.703473 (E_RNA)
where:
Base-Base interactions energy: -1118.659
where: short stacking energy: -452.731
Base-Backbone interact. energy: -1.290
local terms energy: -477.755046
where:
bonds (distance) C4'-P energy: -93.459
bonds (distance) P-C4' energy: -94.293
flat angles C4'-P-C4' energy: -97.283
flat angles P-C4'-P energy: -61.997
tors. eta vs tors. theta energy: -130.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1498.532201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.532201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.532201 (E_RNA)
where:
Base-Base interactions energy: -1043.729
where: short stacking energy: -430.704
Base-Backbone interact. energy: 0.624
local terms energy: -455.427216
where:
bonds (distance) C4'-P energy: -87.859
bonds (distance) P-C4' energy: -94.950
flat angles C4'-P-C4' energy: -96.945
flat angles P-C4'-P energy: -76.959
tors. eta vs tors. theta energy: -98.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1423.596521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.596521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.596521 (E_RNA)
where:
Base-Base interactions energy: -992.326
where: short stacking energy: -378.206
Base-Backbone interact. energy: 0.851
local terms energy: -432.121894
where:
bonds (distance) C4'-P energy: -97.281
bonds (distance) P-C4' energy: -91.369
flat angles C4'-P-C4' energy: -100.296
flat angles P-C4'-P energy: -65.527
tors. eta vs tors. theta energy: -77.649
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: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1303.445558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.445558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.445558 (E_RNA)
where:
Base-Base interactions energy: -904.592
where: short stacking energy: -364.549
Base-Backbone interact. energy: 0.383
local terms energy: -399.236613
where:
bonds (distance) C4'-P energy: -79.150
bonds (distance) P-C4' energy: -87.386
flat angles C4'-P-C4' energy: -87.266
flat angles P-C4'-P energy: -53.854
tors. eta vs tors. theta energy: -91.580
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: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1319.373983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.373983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.373983 (E_RNA)
where:
Base-Base interactions energy: -899.712
where: short stacking energy: -419.013
Base-Backbone interact. energy: -0.743
local terms energy: -418.918998
where:
bonds (distance) C4'-P energy: -81.393
bonds (distance) P-C4' energy: -84.730
flat angles C4'-P-C4' energy: -103.238
flat angles P-C4'-P energy: -69.917
tors. eta vs tors. theta energy: -79.641
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: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1044.669950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.669950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.669950 (E_RNA)
where:
Base-Base interactions energy: -705.027
where: short stacking energy: -297.890
Base-Backbone interact. energy: 0.033
local terms energy: -339.676212
where:
bonds (distance) C4'-P energy: -64.035
bonds (distance) P-C4' energy: -83.757
flat angles C4'-P-C4' energy: -80.518
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: -60.416
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: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -781.275191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.275191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.275191 (E_RNA)
where:
Base-Base interactions energy: -458.870
where: short stacking energy: -219.994
Base-Backbone interact. energy: 1.258
local terms energy: -323.663379
where:
bonds (distance) C4'-P energy: -82.390
bonds (distance) P-C4' energy: -100.837
flat angles C4'-P-C4' energy: -74.602
flat angles P-C4'-P energy: -32.455
tors. eta vs tors. theta energy: -33.380
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: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1873.579501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.579501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.579501 (E_RNA)
where:
Base-Base interactions energy: -1319.997
where: short stacking energy: -524.686
Base-Backbone interact. energy: -0.046
local terms energy: -553.536629
where:
bonds (distance) C4'-P energy: -103.477
bonds (distance) P-C4' energy: -113.337
flat angles C4'-P-C4' energy: -113.528
flat angles P-C4'-P energy: -81.586
tors. eta vs tors. theta energy: -141.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1824.300897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.300897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.300897 (E_RNA)
where:
Base-Base interactions energy: -1281.970
where: short stacking energy: -521.699
Base-Backbone interact. energy: -4.408
local terms energy: -537.922593
where:
bonds (distance) C4'-P energy: -103.269
bonds (distance) P-C4' energy: -108.680
flat angles C4'-P-C4' energy: -112.260
flat angles P-C4'-P energy: -69.452
tors. eta vs tors. theta energy: -144.261
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: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1688.921354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.921354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.921354 (E_RNA)
where:
Base-Base interactions energy: -1165.474
where: short stacking energy: -449.291
Base-Backbone interact. energy: -1.624
local terms energy: -521.822994
where:
bonds (distance) C4'-P energy: -104.360
bonds (distance) P-C4' energy: -105.132
flat angles C4'-P-C4' energy: -116.291
flat angles P-C4'-P energy: -81.162
tors. eta vs tors. theta energy: -114.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1554.264372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.264372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.264372 (E_RNA)
where:
Base-Base interactions energy: -1092.446
where: short stacking energy: -464.365
Base-Backbone interact. energy: -0.036
local terms energy: -461.782007
where:
bonds (distance) C4'-P energy: -73.435
bonds (distance) P-C4' energy: -97.905
flat angles C4'-P-C4' energy: -110.884
flat angles P-C4'-P energy: -62.610
tors. eta vs tors. theta energy: -116.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1560.997819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.997819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.997819 (E_RNA)
where:
Base-Base interactions energy: -1100.272
where: short stacking energy: -453.600
Base-Backbone interact. energy: -2.065
local terms energy: -458.660586
where:
bonds (distance) C4'-P energy: -84.203
bonds (distance) P-C4' energy: -84.372
flat angles C4'-P-C4' energy: -92.188
flat angles P-C4'-P energy: -73.961
tors. eta vs tors. theta energy: -123.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1447.324347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.324347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.324347 (E_RNA)
where:
Base-Base interactions energy: -1039.655
where: short stacking energy: -402.552
Base-Backbone interact. energy: 2.168
local terms energy: -409.837279
where:
bonds (distance) C4'-P energy: -79.263
bonds (distance) P-C4' energy: -64.299
flat angles C4'-P-C4' energy: -106.011
flat angles P-C4'-P energy: -59.527
tors. eta vs tors. theta energy: -100.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1364.532657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.532657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.532657 (E_RNA)
where:
Base-Base interactions energy: -942.828
where: short stacking energy: -387.958
Base-Backbone interact. energy: -0.030
local terms energy: -421.674881
where:
bonds (distance) C4'-P energy: -84.428
bonds (distance) P-C4' energy: -94.677
flat angles C4'-P-C4' energy: -85.017
flat angles P-C4'-P energy: -64.821
tors. eta vs tors. theta energy: -92.732
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: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1299.822485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.822485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.822485 (E_RNA)
where:
Base-Base interactions energy: -903.397
where: short stacking energy: -381.383
Base-Backbone interact. energy: -0.725
local terms energy: -395.699915
where:
bonds (distance) C4'-P energy: -77.148
bonds (distance) P-C4' energy: -78.340
flat angles C4'-P-C4' energy: -93.864
flat angles P-C4'-P energy: -53.119
tors. eta vs tors. theta energy: -93.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1042.918919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.918919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.918919 (E_RNA)
where:
Base-Base interactions energy: -691.580
where: short stacking energy: -304.143
Base-Backbone interact. energy: -0.735
local terms energy: -350.603634
where:
bonds (distance) C4'-P energy: -70.865
bonds (distance) P-C4' energy: -90.812
flat angles C4'-P-C4' energy: -79.176
flat angles P-C4'-P energy: -53.671
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: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -737.824910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.824910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.824910 (E_RNA)
where:
Base-Base interactions energy: -447.036
where: short stacking energy: -205.343
Base-Backbone interact. energy: 0.803
local terms energy: -291.592376
where:
bonds (distance) C4'-P energy: -74.988
bonds (distance) P-C4' energy: -74.311
flat angles C4'-P-C4' energy: -80.274
flat angles P-C4'-P energy: -50.663
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1855.366181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.366181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.366181 (E_RNA)
where:
Base-Base interactions energy: -1303.724
where: short stacking energy: -514.165
Base-Backbone interact. energy: -5.440
local terms energy: -546.202391
where:
bonds (distance) C4'-P energy: -91.791
bonds (distance) P-C4' energy: -104.817
flat angles C4'-P-C4' energy: -117.625
flat angles P-C4'-P energy: -80.842
tors. eta vs tors. theta energy: -151.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1804.706030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.706030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.706030 (E_RNA)
where:
Base-Base interactions energy: -1289.215
where: short stacking energy: -492.925
Base-Backbone interact. energy: -3.169
local terms energy: -512.321930
where:
bonds (distance) C4'-P energy: -81.593
bonds (distance) P-C4' energy: -98.279
flat angles C4'-P-C4' energy: -112.965
flat angles P-C4'-P energy: -77.007
tors. eta vs tors. theta energy: -142.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1698.702750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.702750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.702750 (E_RNA)
where:
Base-Base interactions energy: -1210.352
where: short stacking energy: -479.447
Base-Backbone interact. energy: -4.293
local terms energy: -484.057408
where:
bonds (distance) C4'-P energy: -90.798
bonds (distance) P-C4' energy: -105.139
flat angles C4'-P-C4' energy: -109.534
flat angles P-C4'-P energy: -60.373
tors. eta vs tors. theta energy: -118.213
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: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1543.043873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.043873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.043873 (E_RNA)
where:
Base-Base interactions energy: -1059.819
where: short stacking energy: -428.455
Base-Backbone interact. energy: -4.404
local terms energy: -478.821400
where:
bonds (distance) C4'-P energy: -91.552
bonds (distance) P-C4' energy: -93.386
flat angles C4'-P-C4' energy: -114.291
flat angles P-C4'-P energy: -70.348
tors. eta vs tors. theta energy: -109.245
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: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1572.105692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.105692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.105692 (E_RNA)
where:
Base-Base interactions energy: -1094.052
where: short stacking energy: -449.523
Base-Backbone interact. energy: -2.389
local terms energy: -475.664704
where:
bonds (distance) C4'-P energy: -104.073
bonds (distance) P-C4' energy: -83.972
flat angles C4'-P-C4' energy: -106.452
flat angles P-C4'-P energy: -65.774
tors. eta vs tors. theta energy: -115.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1414.601857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.601857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.601857 (E_RNA)
where:
Base-Base interactions energy: -978.236
where: short stacking energy: -383.927
Base-Backbone interact. energy: -0.358
local terms energy: -436.007495
where:
bonds (distance) C4'-P energy: -96.560
bonds (distance) P-C4' energy: -93.206
flat angles C4'-P-C4' energy: -87.703
flat angles P-C4'-P energy: -65.780
tors. eta vs tors. theta energy: -92.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1354.893106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.893106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.893106 (E_RNA)
where:
Base-Base interactions energy: -921.701
where: short stacking energy: -411.751
Base-Backbone interact. energy: -2.626
local terms energy: -430.565585
where:
bonds (distance) C4'-P energy: -84.992
bonds (distance) P-C4' energy: -81.506
flat angles C4'-P-C4' energy: -99.909
flat angles P-C4'-P energy: -63.097
tors. eta vs tors. theta energy: -101.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1329.201602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.201602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.201602 (E_RNA)
where:
Base-Base interactions energy: -880.124
where: short stacking energy: -374.574
Base-Backbone interact. energy: -0.104
local terms energy: -448.973031
where:
bonds (distance) C4'-P energy: -92.867
bonds (distance) P-C4' energy: -92.177
flat angles C4'-P-C4' energy: -93.541
flat angles P-C4'-P energy: -68.780
tors. eta vs tors. theta energy: -101.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1040.945155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.945155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.945155 (E_RNA)
where:
Base-Base interactions energy: -700.280
where: short stacking energy: -307.803
Base-Backbone interact. energy: 3.439
local terms energy: -344.103821
where:
bonds (distance) C4'-P energy: -79.134
bonds (distance) P-C4' energy: -92.153
flat angles C4'-P-C4' energy: -74.693
flat angles P-C4'-P energy: -49.248
tors. eta vs tors. theta energy: -48.876
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: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -777.688351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.688351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.688351 (E_RNA)
where:
Base-Base interactions energy: -478.565
where: short stacking energy: -226.874
Base-Backbone interact. energy: -3.690
local terms energy: -295.433748
where:
bonds (distance) C4'-P energy: -74.847
bonds (distance) P-C4' energy: -71.216
flat angles C4'-P-C4' energy: -77.838
flat angles P-C4'-P energy: -36.473
tors. eta vs tors. theta energy: -35.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1851.044552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.044552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.044552 (E_RNA)
where:
Base-Base interactions energy: -1341.365
where: short stacking energy: -517.128
Base-Backbone interact. energy: -0.290
local terms energy: -509.389691
where:
bonds (distance) C4'-P energy: -94.560
bonds (distance) P-C4' energy: -75.782
flat angles C4'-P-C4' energy: -114.964
flat angles P-C4'-P energy: -78.488
tors. eta vs tors. theta energy: -145.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1822.537783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.537783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.537783 (E_RNA)
where:
Base-Base interactions energy: -1274.834
where: short stacking energy: -523.155
Base-Backbone interact. energy: -4.938
local terms energy: -542.765424
where:
bonds (distance) C4'-P energy: -99.730
bonds (distance) P-C4' energy: -102.900
flat angles C4'-P-C4' energy: -111.936
flat angles P-C4'-P energy: -82.260
tors. eta vs tors. theta energy: -145.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1689.413343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.413343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.413343 (E_RNA)
where:
Base-Base interactions energy: -1217.629
where: short stacking energy: -477.352
Base-Backbone interact. energy: -2.895
local terms energy: -468.888621
where:
bonds (distance) C4'-P energy: -97.149
bonds (distance) P-C4' energy: -91.653
flat angles C4'-P-C4' energy: -98.242
flat angles P-C4'-P energy: -66.552
tors. eta vs tors. theta energy: -115.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1608.026836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.026836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.026836 (E_RNA)
where:
Base-Base interactions energy: -1124.658
where: short stacking energy: -450.251
Base-Backbone interact. energy: -2.049
local terms energy: -481.320701
where:
bonds (distance) C4'-P energy: -100.847
bonds (distance) P-C4' energy: -86.492
flat angles C4'-P-C4' energy: -109.371
flat angles P-C4'-P energy: -59.064
tors. eta vs tors. theta energy: -125.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1501.246409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.246409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.246409 (E_RNA)
where:
Base-Base interactions energy: -1019.216
where: short stacking energy: -417.405
Base-Backbone interact. energy: -0.718
local terms energy: -481.312562
where:
bonds (distance) C4'-P energy: -107.759
bonds (distance) P-C4' energy: -97.141
flat angles C4'-P-C4' energy: -97.867
flat angles P-C4'-P energy: -65.152
tors. eta vs tors. theta energy: -113.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1517.749651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.749651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.749651 (E_RNA)
where:
Base-Base interactions energy: -1056.822
where: short stacking energy: -423.394
Base-Backbone interact. energy: -1.248
local terms energy: -459.679200
where:
bonds (distance) C4'-P energy: -96.021
bonds (distance) P-C4' energy: -95.194
flat angles C4'-P-C4' energy: -95.265
flat angles P-C4'-P energy: -60.734
tors. eta vs tors. theta energy: -112.465
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: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1366.713629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.713629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.713629 (E_RNA)
where:
Base-Base interactions energy: -904.771
where: short stacking energy: -398.998
Base-Backbone interact. energy: 0.825
local terms energy: -462.767834
where:
bonds (distance) C4'-P energy: -104.641
bonds (distance) P-C4' energy: -87.520
flat angles C4'-P-C4' energy: -98.925
flat angles P-C4'-P energy: -66.914
tors. eta vs tors. theta energy: -104.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1279.677679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.677679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.677679 (E_RNA)
where:
Base-Base interactions energy: -875.913
where: short stacking energy: -360.977
Base-Backbone interact. energy: -2.901
local terms energy: -400.863565
where:
bonds (distance) C4'-P energy: -81.900
bonds (distance) P-C4' energy: -86.863
flat angles C4'-P-C4' energy: -96.546
flat angles P-C4'-P energy: -53.923
tors. eta vs tors. theta energy: -81.631
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: 9, replica: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1077.573348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.573348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.573348 (E_RNA)
where:
Base-Base interactions energy: -717.228
where: short stacking energy: -297.239
Base-Backbone interact. energy: 0.215
local terms energy: -360.559929
where:
bonds (distance) C4'-P energy: -64.598
bonds (distance) P-C4' energy: -90.739
flat angles C4'-P-C4' energy: -87.408
flat angles P-C4'-P energy: -60.043
tors. eta vs tors. theta energy: -57.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -795.351293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.351293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.351293 (E_RNA)
where:
Base-Base interactions energy: -490.993
where: short stacking energy: -225.141
Base-Backbone interact. energy: 6.262
local terms energy: -310.620125
where:
bonds (distance) C4'-P energy: -64.576
bonds (distance) P-C4' energy: -89.061
flat angles C4'-P-C4' energy: -82.716
flat angles P-C4'-P energy: -51.416
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1865.960473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.960473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.960473 (E_RNA)
where:
Base-Base interactions energy: -1330.648
where: short stacking energy: -515.790
Base-Backbone interact. energy: -3.490
local terms energy: -531.822650
where:
bonds (distance) C4'-P energy: -102.085
bonds (distance) P-C4' energy: -104.190
flat angles C4'-P-C4' energy: -111.190
flat angles P-C4'-P energy: -73.539
tors. eta vs tors. theta energy: -140.818
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: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1813.317757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.317757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.317757 (E_RNA)
where:
Base-Base interactions energy: -1269.512
where: short stacking energy: -505.405
Base-Backbone interact. energy: -3.639
local terms energy: -540.166951
where:
bonds (distance) C4'-P energy: -89.149
bonds (distance) P-C4' energy: -116.919
flat angles C4'-P-C4' energy: -122.811
flat angles P-C4'-P energy: -72.489
tors. eta vs tors. theta energy: -138.799
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: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1683.969404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.969404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.969404 (E_RNA)
where:
Base-Base interactions energy: -1201.918
where: short stacking energy: -494.452
Base-Backbone interact. energy: 1.488
local terms energy: -483.539348
where:
bonds (distance) C4'-P energy: -99.374
bonds (distance) P-C4' energy: -85.832
flat angles C4'-P-C4' energy: -107.026
flat angles P-C4'-P energy: -71.982
tors. eta vs tors. theta energy: -119.326
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: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1600.986448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.986448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.986448 (E_RNA)
where:
Base-Base interactions energy: -1125.280
where: short stacking energy: -466.394
Base-Backbone interact. energy: -1.024
local terms energy: -474.681813
where:
bonds (distance) C4'-P energy: -97.950
bonds (distance) P-C4' energy: -81.102
flat angles C4'-P-C4' energy: -97.873
flat angles P-C4'-P energy: -72.294
tors. eta vs tors. theta energy: -125.462
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: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1512.052776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.052776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.052776 (E_RNA)
where:
Base-Base interactions energy: -1045.620
where: short stacking energy: -452.756
Base-Backbone interact. energy: 1.742
local terms energy: -468.174296
where:
bonds (distance) C4'-P energy: -104.331
bonds (distance) P-C4' energy: -83.595
flat angles C4'-P-C4' energy: -98.936
flat angles P-C4'-P energy: -67.800
tors. eta vs tors. theta energy: -113.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1462.452516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.452516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.452516 (E_RNA)
where:
Base-Base interactions energy: -1052.424
where: short stacking energy: -412.994
Base-Backbone interact. energy: -2.361
local terms energy: -407.667941
where:
bonds (distance) C4'-P energy: -77.663
bonds (distance) P-C4' energy: -79.740
flat angles C4'-P-C4' energy: -91.888
flat angles P-C4'-P energy: -60.799
tors. eta vs tors. theta energy: -97.578
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: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1409.770338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.770338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.770338 (E_RNA)
where:
Base-Base interactions energy: -974.071
where: short stacking energy: -412.520
Base-Backbone interact. energy: 2.217
local terms energy: -437.916409
where:
bonds (distance) C4'-P energy: -79.972
bonds (distance) P-C4' energy: -98.539
flat angles C4'-P-C4' energy: -106.189
flat angles P-C4'-P energy: -49.172
tors. eta vs tors. theta energy: -104.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1298.537301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.537301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.537301 (E_RNA)
where:
Base-Base interactions energy: -871.868
where: short stacking energy: -354.892
Base-Backbone interact. energy: 1.504
local terms energy: -428.173526
where:
bonds (distance) C4'-P energy: -87.977
bonds (distance) P-C4' energy: -89.128
flat angles C4'-P-C4' energy: -87.289
flat angles P-C4'-P energy: -67.321
tors. eta vs tors. theta energy: -96.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1049.763314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.763314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.763314 (E_RNA)
where:
Base-Base interactions energy: -665.455
where: short stacking energy: -277.678
Base-Backbone interact. energy: -2.278
local terms energy: -382.030558
where:
bonds (distance) C4'-P energy: -92.770
bonds (distance) P-C4' energy: -84.040
flat angles C4'-P-C4' energy: -95.213
flat angles P-C4'-P energy: -61.181
tors. eta vs tors. theta energy: -48.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -759.698200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.698200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.698200 (E_RNA)
where:
Base-Base interactions energy: -474.566
where: short stacking energy: -232.185
Base-Backbone interact. energy: 3.521
local terms energy: -288.652947
where:
bonds (distance) C4'-P energy: -81.290
bonds (distance) P-C4' energy: -86.580
flat angles C4'-P-C4' energy: -80.819
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -17.253
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: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1853.546112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.546112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.546112 (E_RNA)
where:
Base-Base interactions energy: -1323.652
where: short stacking energy: -504.313
Base-Backbone interact. energy: -2.867
local terms energy: -527.027088
where:
bonds (distance) C4'-P energy: -96.112
bonds (distance) P-C4' energy: -105.870
flat angles C4'-P-C4' energy: -110.840
flat angles P-C4'-P energy: -69.892
tors. eta vs tors. theta energy: -144.313
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: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1802.154525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.154525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.154525 (E_RNA)
where:
Base-Base interactions energy: -1289.526
where: short stacking energy: -521.884
Base-Backbone interact. energy: -1.767
local terms energy: -510.861371
where:
bonds (distance) C4'-P energy: -94.739
bonds (distance) P-C4' energy: -98.780
flat angles C4'-P-C4' energy: -110.257
flat angles P-C4'-P energy: -65.247
tors. eta vs tors. theta energy: -141.839
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: 35
Temperature: 1.000000
Total energy: -1687.115500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.115500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.115500 (E_RNA)
where:
Base-Base interactions energy: -1187.403
where: short stacking energy: -470.642
Base-Backbone interact. energy: -4.146
local terms energy: -495.566205
where:
bonds (distance) C4'-P energy: -95.444
bonds (distance) P-C4' energy: -94.621
flat angles C4'-P-C4' energy: -108.489
flat angles P-C4'-P energy: -74.911
tors. eta vs tors. theta energy: -122.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1611.547788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.547788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.547788 (E_RNA)
where:
Base-Base interactions energy: -1111.180
where: short stacking energy: -460.070
Base-Backbone interact. energy: -3.185
local terms energy: -497.182581
where:
bonds (distance) C4'-P energy: -88.666
bonds (distance) P-C4' energy: -96.161
flat angles C4'-P-C4' energy: -109.808
flat angles P-C4'-P energy: -71.675
tors. eta vs tors. theta energy: -130.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1486.679464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.679464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.679464 (E_RNA)
where:
Base-Base interactions energy: -1006.349
where: short stacking energy: -427.992
Base-Backbone interact. energy: -0.148
local terms energy: -480.182340
where:
bonds (distance) C4'-P energy: -96.072
bonds (distance) P-C4' energy: -106.348
flat angles C4'-P-C4' energy: -100.674
flat angles P-C4'-P energy: -64.016
tors. eta vs tors. theta energy: -113.073
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: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1453.866052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.866052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.866052 (E_RNA)
where:
Base-Base interactions energy: -1008.357
where: short stacking energy: -422.308
Base-Backbone interact. energy: -2.752
local terms energy: -442.756647
where:
bonds (distance) C4'-P energy: -77.719
bonds (distance) P-C4' energy: -98.721
flat angles C4'-P-C4' energy: -111.771
flat angles P-C4'-P energy: -49.066
tors. eta vs tors. theta energy: -105.479
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: 7, replica: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1396.005299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.005299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.005299 (E_RNA)
where:
Base-Base interactions energy: -980.143
where: short stacking energy: -378.406
Base-Backbone interact. energy: -1.766
local terms energy: -414.097076
where:
bonds (distance) C4'-P energy: -81.674
bonds (distance) P-C4' energy: -73.580
flat angles C4'-P-C4' energy: -91.947
flat angles P-C4'-P energy: -60.776
tors. eta vs tors. theta energy: -106.121
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: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1336.850983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.850983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.850983 (E_RNA)
where:
Base-Base interactions energy: -937.396
where: short stacking energy: -395.007
Base-Backbone interact. energy: 0.073
local terms energy: -399.527277
where:
bonds (distance) C4'-P energy: -72.628
bonds (distance) P-C4' energy: -81.728
flat angles C4'-P-C4' energy: -93.662
flat angles P-C4'-P energy: -56.119
tors. eta vs tors. theta energy: -95.392
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: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1030.261555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.261555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.261555 (E_RNA)
where:
Base-Base interactions energy: -663.516
where: short stacking energy: -287.717
Base-Backbone interact. energy: 1.755
local terms energy: -368.499974
where:
bonds (distance) C4'-P energy: -86.248
bonds (distance) P-C4' energy: -78.834
flat angles C4'-P-C4' energy: -91.822
flat angles P-C4'-P energy: -58.273
tors. eta vs tors. theta energy: -53.323
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: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -766.101863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.101863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.101863 (E_RNA)
where:
Base-Base interactions energy: -454.416
where: short stacking energy: -203.082
Base-Backbone interact. energy: 0.044
local terms energy: -311.730782
where:
bonds (distance) C4'-P energy: -89.978
bonds (distance) P-C4' energy: -78.187
flat angles C4'-P-C4' energy: -67.349
flat angles P-C4'-P energy: -60.300
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1876.394556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.394556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.394556 (E_RNA)
where:
Base-Base interactions energy: -1355.218
where: short stacking energy: -519.567
Base-Backbone interact. energy: -3.152
local terms energy: -518.024940
where:
bonds (distance) C4'-P energy: -86.576
bonds (distance) P-C4' energy: -97.589
flat angles C4'-P-C4' energy: -117.076
flat angles P-C4'-P energy: -76.044
tors. eta vs tors. theta energy: -140.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1793.193609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.193609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.193609 (E_RNA)
where:
Base-Base interactions energy: -1267.226
where: short stacking energy: -504.252
Base-Backbone interact. energy: -2.225
local terms energy: -523.743184
where:
bonds (distance) C4'-P energy: -97.759
bonds (distance) P-C4' energy: -92.312
flat angles C4'-P-C4' energy: -112.596
flat angles P-C4'-P energy: -79.852
tors. eta vs tors. theta energy: -141.225
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: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1620.889290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.889290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.889290 (E_RNA)
where:
Base-Base interactions energy: -1125.518
where: short stacking energy: -490.568
Base-Backbone interact. energy: -4.915
local terms energy: -490.456899
where:
bonds (distance) C4'-P energy: -94.618
bonds (distance) P-C4' energy: -106.039
flat angles C4'-P-C4' energy: -105.279
flat angles P-C4'-P energy: -68.834
tors. eta vs tors. theta energy: -115.687
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: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1620.693960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.693960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.693960 (E_RNA)
where:
Base-Base interactions energy: -1150.656
where: short stacking energy: -441.632
Base-Backbone interact. energy: -1.745
local terms energy: -468.293511
where:
bonds (distance) C4'-P energy: -86.208
bonds (distance) P-C4' energy: -90.862
flat angles C4'-P-C4' energy: -102.847
flat angles P-C4'-P energy: -72.729
tors. eta vs tors. theta energy: -115.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1469.625595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.625595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.625595 (E_RNA)
where:
Base-Base interactions energy: -1028.579
where: short stacking energy: -442.338
Base-Backbone interact. energy: -0.112
local terms energy: -440.934092
where:
bonds (distance) C4'-P energy: -74.362
bonds (distance) P-C4' energy: -91.444
flat angles C4'-P-C4' energy: -98.106
flat angles P-C4'-P energy: -62.312
tors. eta vs tors. theta energy: -114.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1412.561674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.561674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.561674 (E_RNA)
where:
Base-Base interactions energy: -981.314
where: short stacking energy: -419.597
Base-Backbone interact. energy: -1.254
local terms energy: -429.993472
where:
bonds (distance) C4'-P energy: -74.350
bonds (distance) P-C4' energy: -78.962
flat angles C4'-P-C4' energy: -98.831
flat angles P-C4'-P energy: -64.403
tors. eta vs tors. theta energy: -113.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1408.517423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.517423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.517423 (E_RNA)
where:
Base-Base interactions energy: -961.949
where: short stacking energy: -406.115
Base-Backbone interact. energy: -2.776
local terms energy: -443.792573
where:
bonds (distance) C4'-P energy: -87.138
bonds (distance) P-C4' energy: -100.277
flat angles C4'-P-C4' energy: -95.565
flat angles P-C4'-P energy: -58.228
tors. eta vs tors. theta energy: -102.585
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: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1346.280138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.280138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.280138 (E_RNA)
where:
Base-Base interactions energy: -926.332
where: short stacking energy: -361.801
Base-Backbone interact. energy: -1.830
local terms energy: -418.117964
where:
bonds (distance) C4'-P energy: -90.846
bonds (distance) P-C4' energy: -92.471
flat angles C4'-P-C4' energy: -96.441
flat angles P-C4'-P energy: -52.426
tors. eta vs tors. theta energy: -85.934
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: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1025.845300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.845300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.845300 (E_RNA)
where:
Base-Base interactions energy: -687.575
where: short stacking energy: -292.622
Base-Backbone interact. energy: -0.901
local terms energy: -337.369727
where:
bonds (distance) C4'-P energy: -71.526
bonds (distance) P-C4' energy: -74.735
flat angles C4'-P-C4' energy: -81.974
flat angles P-C4'-P energy: -62.161
tors. eta vs tors. theta energy: -46.974
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: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -761.037756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.037756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.037756 (E_RNA)
where:
Base-Base interactions energy: -486.291
where: short stacking energy: -249.107
Base-Backbone interact. energy: 0.089
local terms energy: -274.835925
where:
bonds (distance) C4'-P energy: -64.329
bonds (distance) P-C4' energy: -73.820
flat angles C4'-P-C4' energy: -68.295
flat angles P-C4'-P energy: -38.859
tors. eta vs tors. theta energy: -29.533
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: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1852.890012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.890012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.890012 (E_RNA)
where:
Base-Base interactions energy: -1314.649
where: short stacking energy: -499.329
Base-Backbone interact. energy: -2.757
local terms energy: -535.483470
where:
bonds (distance) C4'-P energy: -101.353
bonds (distance) P-C4' energy: -105.203
flat angles C4'-P-C4' energy: -116.810
flat angles P-C4'-P energy: -76.668
tors. eta vs tors. theta energy: -135.449
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: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1803.559490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.559490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.559490 (E_RNA)
where:
Base-Base interactions energy: -1274.234
where: short stacking energy: -525.636
Base-Backbone interact. energy: -2.988
local terms energy: -526.336931
where:
bonds (distance) C4'-P energy: -89.259
bonds (distance) P-C4' energy: -106.887
flat angles C4'-P-C4' energy: -116.012
flat angles P-C4'-P energy: -74.822
tors. eta vs tors. theta energy: -139.357
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: 10
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1668.701142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.701142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.701142 (E_RNA)
where:
Base-Base interactions energy: -1165.430
where: short stacking energy: -463.773
Base-Backbone interact. energy: -3.493
local terms energy: -499.778006
where:
bonds (distance) C4'-P energy: -98.435
bonds (distance) P-C4' energy: -87.815
flat angles C4'-P-C4' energy: -114.150
flat angles P-C4'-P energy: -76.753
tors. eta vs tors. theta energy: -122.625
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: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1622.802783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.802783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.802783 (E_RNA)
where:
Base-Base interactions energy: -1141.876
where: short stacking energy: -470.232
Base-Backbone interact. energy: -2.645
local terms energy: -478.282015
where:
bonds (distance) C4'-P energy: -88.507
bonds (distance) P-C4' energy: -95.081
flat angles C4'-P-C4' energy: -101.459
flat angles P-C4'-P energy: -70.002
tors. eta vs tors. theta energy: -123.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1482.476606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.476606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.476606 (E_RNA)
where:
Base-Base interactions energy: -1030.863
where: short stacking energy: -429.774
Base-Backbone interact. energy: -0.774
local terms energy: -450.839511
where:
bonds (distance) C4'-P energy: -81.091
bonds (distance) P-C4' energy: -95.712
flat angles C4'-P-C4' energy: -108.764
flat angles P-C4'-P energy: -60.090
tors. eta vs tors. theta energy: -105.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1466.250514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.250514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.250514 (E_RNA)
where:
Base-Base interactions energy: -1010.610
where: short stacking energy: -426.391
Base-Backbone interact. energy: -2.317
local terms energy: -453.323603
where:
bonds (distance) C4'-P energy: -80.298
bonds (distance) P-C4' energy: -89.639
flat angles C4'-P-C4' energy: -101.345
flat angles P-C4'-P energy: -72.775
tors. eta vs tors. theta energy: -109.266
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: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1399.787352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.787352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.787352 (E_RNA)
where:
Base-Base interactions energy: -993.628
where: short stacking energy: -402.695
Base-Backbone interact. energy: 0.429
local terms energy: -406.587989
where:
bonds (distance) C4'-P energy: -97.889
bonds (distance) P-C4' energy: -69.820
flat angles C4'-P-C4' energy: -107.335
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -100.550
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: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1311.550122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.550122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.550122 (E_RNA)
where:
Base-Base interactions energy: -925.941
where: short stacking energy: -387.995
Base-Backbone interact. energy: -2.043
local terms energy: -383.566570
where:
bonds (distance) C4'-P energy: -80.616
bonds (distance) P-C4' energy: -91.964
flat angles C4'-P-C4' energy: -75.646
flat angles P-C4'-P energy: -44.980
tors. eta vs tors. theta energy: -90.362
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: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1073.742395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.742395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.742395 (E_RNA)
where:
Base-Base interactions energy: -710.082
where: short stacking energy: -301.637
Base-Backbone interact. energy: -0.447
local terms energy: -363.213599
where:
bonds (distance) C4'-P energy: -83.869
bonds (distance) P-C4' energy: -71.077
flat angles C4'-P-C4' energy: -97.303
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -53.507
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: 37
Temperature: 1.350000
Total energy: -748.703684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.703684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.703684 (E_RNA)
where:
Base-Base interactions energy: -449.023
where: short stacking energy: -196.104
Base-Backbone interact. energy: -3.479
local terms energy: -296.201436
where:
bonds (distance) C4'-P energy: -79.272
bonds (distance) P-C4' energy: -89.200
flat angles C4'-P-C4' energy: -71.454
flat angles P-C4'-P energy: -53.318
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1852.275298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.275298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.275298 (E_RNA)
where:
Base-Base interactions energy: -1306.058
where: short stacking energy: -485.135
Base-Backbone interact. energy: -3.069
local terms energy: -543.148109
where:
bonds (distance) C4'-P energy: -106.417
bonds (distance) P-C4' energy: -109.734
flat angles C4'-P-C4' energy: -112.611
flat angles P-C4'-P energy: -79.439
tors. eta vs tors. theta energy: -134.947
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: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1796.311853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.311853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.311853 (E_RNA)
where:
Base-Base interactions energy: -1278.423
where: short stacking energy: -514.887
Base-Backbone interact. energy: -2.977
local terms energy: -514.911788
where:
bonds (distance) C4'-P energy: -87.949
bonds (distance) P-C4' energy: -105.671
flat angles C4'-P-C4' energy: -107.746
flat angles P-C4'-P energy: -71.259
tors. eta vs tors. theta energy: -142.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1690.989723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.989723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.989723 (E_RNA)
where:
Base-Base interactions energy: -1178.945
where: short stacking energy: -484.090
Base-Backbone interact. energy: -4.627
local terms energy: -507.417864
where:
bonds (distance) C4'-P energy: -95.762
bonds (distance) P-C4' energy: -97.083
flat angles C4'-P-C4' energy: -106.521
flat angles P-C4'-P energy: -74.907
tors. eta vs tors. theta energy: -133.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1659.626216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.626216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.626216 (E_RNA)
where:
Base-Base interactions energy: -1166.310
where: short stacking energy: -467.642
Base-Backbone interact. energy: -0.980
local terms energy: -492.335866
where:
bonds (distance) C4'-P energy: -103.969
bonds (distance) P-C4' energy: -94.052
flat angles C4'-P-C4' energy: -109.327
flat angles P-C4'-P energy: -68.908
tors. eta vs tors. theta energy: -116.081
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: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1493.108612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.108612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.108612 (E_RNA)
where:
Base-Base interactions energy: -1042.319
where: short stacking energy: -419.501
Base-Backbone interact. energy: -1.225
local terms energy: -449.564251
where:
bonds (distance) C4'-P energy: -78.955
bonds (distance) P-C4' energy: -92.036
flat angles C4'-P-C4' energy: -101.480
flat angles P-C4'-P energy: -67.256
tors. eta vs tors. theta energy: -109.837
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: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1427.446262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.446262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.446262 (E_RNA)
where:
Base-Base interactions energy: -1004.888
where: short stacking energy: -416.606
Base-Backbone interact. energy: 0.687
local terms energy: -423.245587
where:
bonds (distance) C4'-P energy: -75.140
bonds (distance) P-C4' energy: -92.652
flat angles C4'-P-C4' energy: -99.006
flat angles P-C4'-P energy: -60.409
tors. eta vs tors. theta energy: -96.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1404.121109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.121109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.121109 (E_RNA)
where:
Base-Base interactions energy: -980.699
where: short stacking energy: -412.448
Base-Backbone interact. energy: 0.854
local terms energy: -424.276010
where:
bonds (distance) C4'-P energy: -65.268
bonds (distance) P-C4' energy: -79.120
flat angles C4'-P-C4' energy: -109.491
flat angles P-C4'-P energy: -59.778
tors. eta vs tors. theta energy: -110.619
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: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1324.045142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.045142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.045142 (E_RNA)
where:
Base-Base interactions energy: -894.877
where: short stacking energy: -369.146
Base-Backbone interact. energy: -1.617
local terms energy: -427.550826
where:
bonds (distance) C4'-P energy: -98.375
bonds (distance) P-C4' energy: -93.540
flat angles C4'-P-C4' energy: -93.427
flat angles P-C4'-P energy: -53.535
tors. eta vs tors. theta energy: -88.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1138.916819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.916819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.916819 (E_RNA)
where:
Base-Base interactions energy: -776.187
where: short stacking energy: -332.404
Base-Backbone interact. energy: 4.200
local terms energy: -366.930230
where:
bonds (distance) C4'-P energy: -88.522
bonds (distance) P-C4' energy: -79.964
flat angles C4'-P-C4' energy: -93.209
flat angles P-C4'-P energy: -44.469
tors. eta vs tors. theta energy: -60.766
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: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -775.418668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.418668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.418668 (E_RNA)
where:
Base-Base interactions energy: -462.944
where: short stacking energy: -220.068
Base-Backbone interact. energy: -1.980
local terms energy: -310.494414
where:
bonds (distance) C4'-P energy: -81.139
bonds (distance) P-C4' energy: -84.176
flat angles C4'-P-C4' energy: -68.079
flat angles P-C4'-P energy: -47.349
tors. eta vs tors. theta energy: -29.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1855.382221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.382221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.382221 (E_RNA)
where:
Base-Base interactions energy: -1333.373
where: short stacking energy: -520.160
Base-Backbone interact. energy: -2.023
local terms energy: -519.986915
where:
bonds (distance) C4'-P energy: -90.252
bonds (distance) P-C4' energy: -107.609
flat angles C4'-P-C4' energy: -108.530
flat angles P-C4'-P energy: -76.028
tors. eta vs tors. theta energy: -137.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1822.867889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.867889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.867889 (E_RNA)
where:
Base-Base interactions energy: -1276.314
where: short stacking energy: -528.704
Base-Backbone interact. energy: -1.988
local terms energy: -544.566102
where:
bonds (distance) C4'-P energy: -103.304
bonds (distance) P-C4' energy: -106.521
flat angles C4'-P-C4' energy: -119.131
flat angles P-C4'-P energy: -73.521
tors. eta vs tors. theta energy: -142.089
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: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1681.139488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.139488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.139488 (E_RNA)
where:
Base-Base interactions energy: -1165.335
where: short stacking energy: -505.827
Base-Backbone interact. energy: -2.766
local terms energy: -513.038552
where:
bonds (distance) C4'-P energy: -99.371
bonds (distance) P-C4' energy: -96.401
flat angles C4'-P-C4' energy: -107.016
flat angles P-C4'-P energy: -74.223
tors. eta vs tors. theta energy: -136.028
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: 39
Temperature: 1.050000
Total energy: -1612.082932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.082932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.082932 (E_RNA)
where:
Base-Base interactions energy: -1138.016
where: short stacking energy: -467.260
Base-Backbone interact. energy: -2.959
local terms energy: -471.108526
where:
bonds (distance) C4'-P energy: -85.417
bonds (distance) P-C4' energy: -100.867
flat angles C4'-P-C4' energy: -106.338
flat angles P-C4'-P energy: -70.906
tors. eta vs tors. theta energy: -107.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1489.054369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.054369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.054369 (E_RNA)
where:
Base-Base interactions energy: -1039.371
where: short stacking energy: -438.153
Base-Backbone interact. energy: -0.687
local terms energy: -448.996399
where:
bonds (distance) C4'-P energy: -95.629
bonds (distance) P-C4' energy: -84.966
flat angles C4'-P-C4' energy: -98.848
flat angles P-C4'-P energy: -63.402
tors. eta vs tors. theta energy: -106.150
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: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1466.105335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.105335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.105335 (E_RNA)
where:
Base-Base interactions energy: -1008.733
where: short stacking energy: -415.546
Base-Backbone interact. energy: -2.893
local terms energy: -454.479612
where:
bonds (distance) C4'-P energy: -89.446
bonds (distance) P-C4' energy: -83.847
flat angles C4'-P-C4' energy: -106.137
flat angles P-C4'-P energy: -64.383
tors. eta vs tors. theta energy: -110.667
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: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1342.537423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.537423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.537423 (E_RNA)
where:
Base-Base interactions energy: -932.925
where: short stacking energy: -387.699
Base-Backbone interact. energy: 3.416
local terms energy: -413.028060
where:
bonds (distance) C4'-P energy: -74.676
bonds (distance) P-C4' energy: -86.372
flat angles C4'-P-C4' energy: -99.447
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: -97.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1295.994816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.994816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.994816 (E_RNA)
where:
Base-Base interactions energy: -917.045
where: short stacking energy: -361.498
Base-Backbone interact. energy: -3.344
local terms energy: -375.605552
where:
bonds (distance) C4'-P energy: -70.461
bonds (distance) P-C4' energy: -78.422
flat angles C4'-P-C4' energy: -70.116
flat angles P-C4'-P energy: -71.046
tors. eta vs tors. theta energy: -85.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1128.503608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.503608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.503608 (E_RNA)
where:
Base-Base interactions energy: -758.604
where: short stacking energy: -311.388
Base-Backbone interact. energy: -3.249
local terms energy: -366.651058
where:
bonds (distance) C4'-P energy: -70.942
bonds (distance) P-C4' energy: -77.511
flat angles C4'-P-C4' energy: -98.632
flat angles P-C4'-P energy: -60.018
tors. eta vs tors. theta energy: -59.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -712.383693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.383693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.383693 (E_RNA)
where:
Base-Base interactions energy: -434.276
where: short stacking energy: -196.493
Base-Backbone interact. energy: 0.244
local terms energy: -278.350908
where:
bonds (distance) C4'-P energy: -78.700
bonds (distance) P-C4' energy: -83.323
flat angles C4'-P-C4' energy: -72.844
flat angles P-C4'-P energy: -38.222
tors. eta vs tors. theta energy: -5.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1876.029950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.029950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.029950 (E_RNA)
where:
Base-Base interactions energy: -1314.168
where: short stacking energy: -520.791
Base-Backbone interact. energy: -2.808
local terms energy: -559.054314
where:
bonds (distance) C4'-P energy: -111.443
bonds (distance) P-C4' energy: -107.917
flat angles C4'-P-C4' energy: -117.840
flat angles P-C4'-P energy: -75.607
tors. eta vs tors. theta energy: -146.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1779.614814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.614814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.614814 (E_RNA)
where:
Base-Base interactions energy: -1268.879
where: short stacking energy: -496.862
Base-Backbone interact. energy: -5.417
local terms energy: -505.318682
where:
bonds (distance) C4'-P energy: -83.009
bonds (distance) P-C4' energy: -103.401
flat angles C4'-P-C4' energy: -110.933
flat angles P-C4'-P energy: -74.578
tors. eta vs tors. theta energy: -133.399
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: 3, replica: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1693.905456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.905456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.905456 (E_RNA)
where:
Base-Base interactions energy: -1181.059
where: short stacking energy: -497.178
Base-Backbone interact. energy: -1.736
local terms energy: -511.110489
where:
bonds (distance) C4'-P energy: -103.710
bonds (distance) P-C4' energy: -81.357
flat angles C4'-P-C4' energy: -112.586
flat angles P-C4'-P energy: -78.851
tors. eta vs tors. theta energy: -134.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1629.859862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.859862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.859862 (E_RNA)
where:
Base-Base interactions energy: -1140.515
where: short stacking energy: -452.184
Base-Backbone interact. energy: -4.247
local terms energy: -485.097611
where:
bonds (distance) C4'-P energy: -92.634
bonds (distance) P-C4' energy: -95.936
flat angles C4'-P-C4' energy: -110.148
flat angles P-C4'-P energy: -65.601
tors. eta vs tors. theta energy: -120.778
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: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1495.868485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.868485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.868485 (E_RNA)
where:
Base-Base interactions energy: -1045.717
where: short stacking energy: -432.751
Base-Backbone interact. energy: 6.684
local terms energy: -456.835193
where:
bonds (distance) C4'-P energy: -84.139
bonds (distance) P-C4' energy: -96.785
flat angles C4'-P-C4' energy: -99.191
flat angles P-C4'-P energy: -67.529
tors. eta vs tors. theta energy: -109.191
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: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1482.879654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.879654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.879654 (E_RNA)
where:
Base-Base interactions energy: -1022.539
where: short stacking energy: -410.343
Base-Backbone interact. energy: -2.623
local terms energy: -457.718351
where:
bonds (distance) C4'-P energy: -79.638
bonds (distance) P-C4' energy: -104.479
flat angles C4'-P-C4' energy: -103.171
flat angles P-C4'-P energy: -67.186
tors. eta vs tors. theta energy: -103.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1356.514763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.514763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.514763 (E_RNA)
where:
Base-Base interactions energy: -933.057
where: short stacking energy: -391.059
Base-Backbone interact. energy: 1.444
local terms energy: -424.902414
where:
bonds (distance) C4'-P energy: -90.562
bonds (distance) P-C4' energy: -87.010
flat angles C4'-P-C4' energy: -93.459
flat angles P-C4'-P energy: -64.727
tors. eta vs tors. theta energy: -89.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1223.997658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.997658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.997658 (E_RNA)
where:
Base-Base interactions energy: -831.018
where: short stacking energy: -335.126
Base-Backbone interact. energy: -0.458
local terms energy: -392.522170
where:
bonds (distance) C4'-P energy: -71.305
bonds (distance) P-C4' energy: -89.569
flat angles C4'-P-C4' energy: -106.251
flat angles P-C4'-P energy: -43.715
tors. eta vs tors. theta energy: -81.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1120.572255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.572255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.572255 (E_RNA)
where:
Base-Base interactions energy: -736.098
where: short stacking energy: -323.896
Base-Backbone interact. energy: -2.692
local terms energy: -381.783083
where:
bonds (distance) C4'-P energy: -93.178
bonds (distance) P-C4' energy: -78.181
flat angles C4'-P-C4' energy: -91.550
flat angles P-C4'-P energy: -45.763
tors. eta vs tors. theta energy: -73.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -690.962344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.962344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.962344 (E_RNA)
where:
Base-Base interactions energy: -400.169
where: short stacking energy: -207.334
Base-Backbone interact. energy: 9.763
local terms energy: -300.556471
where:
bonds (distance) C4'-P energy: -82.426
bonds (distance) P-C4' energy: -86.976
flat angles C4'-P-C4' energy: -66.685
flat angles P-C4'-P energy: -52.989
tors. eta vs tors. theta energy: -11.480
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: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1866.329045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.329045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.329045 (E_RNA)
where:
Base-Base interactions energy: -1310.113
where: short stacking energy: -510.630
Base-Backbone interact. energy: -2.571
local terms energy: -553.644975
where:
bonds (distance) C4'-P energy: -92.895
bonds (distance) P-C4' energy: -109.729
flat angles C4'-P-C4' energy: -118.380
flat angles P-C4'-P energy: -84.301
tors. eta vs tors. theta energy: -148.340
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: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1794.996448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.996448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.996448 (E_RNA)
where:
Base-Base interactions energy: -1270.928
where: short stacking energy: -488.669
Base-Backbone interact. energy: -2.551
local terms energy: -521.516784
where:
bonds (distance) C4'-P energy: -93.947
bonds (distance) P-C4' energy: -100.924
flat angles C4'-P-C4' energy: -111.813
flat angles P-C4'-P energy: -71.740
tors. eta vs tors. theta energy: -143.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1659.992914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.992914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.992914 (E_RNA)
where:
Base-Base interactions energy: -1146.357
where: short stacking energy: -490.500
Base-Backbone interact. energy: -2.614
local terms energy: -511.021115
where:
bonds (distance) C4'-P energy: -96.683
bonds (distance) P-C4' energy: -94.267
flat angles C4'-P-C4' energy: -107.424
flat angles P-C4'-P energy: -71.443
tors. eta vs tors. theta energy: -141.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1655.444636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.444636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.444636 (E_RNA)
where:
Base-Base interactions energy: -1179.724
where: short stacking energy: -509.785
Base-Backbone interact. energy: 0.834
local terms energy: -476.555056
where:
bonds (distance) C4'-P energy: -83.575
bonds (distance) P-C4' energy: -98.698
flat angles C4'-P-C4' energy: -98.656
flat angles P-C4'-P energy: -59.661
tors. eta vs tors. theta energy: -135.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1492.888054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.888054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.888054 (E_RNA)
where:
Base-Base interactions energy: -1025.711
where: short stacking energy: -401.644
Base-Backbone interact. energy: -0.197
local terms energy: -466.980165
where:
bonds (distance) C4'-P energy: -88.524
bonds (distance) P-C4' energy: -99.631
flat angles C4'-P-C4' energy: -114.127
flat angles P-C4'-P energy: -63.418
tors. eta vs tors. theta energy: -101.280
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: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1410.127594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.127594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.127594 (E_RNA)
where:
Base-Base interactions energy: -969.778
where: short stacking energy: -376.759
Base-Backbone interact. energy: 0.967
local terms energy: -441.316159
where:
bonds (distance) C4'-P energy: -84.653
bonds (distance) P-C4' energy: -92.837
flat angles C4'-P-C4' energy: -100.267
flat angles P-C4'-P energy: -66.650
tors. eta vs tors. theta energy: -96.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1376.218950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.218950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.218950 (E_RNA)
where:
Base-Base interactions energy: -945.945
where: short stacking energy: -431.354
Base-Backbone interact. energy: -1.484
local terms energy: -428.790216
where:
bonds (distance) C4'-P energy: -75.953
bonds (distance) P-C4' energy: -88.856
flat angles C4'-P-C4' energy: -104.467
flat angles P-C4'-P energy: -62.259
tors. eta vs tors. theta energy: -97.256
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: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1300.733166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.733166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.733166 (E_RNA)
where:
Base-Base interactions energy: -895.573
where: short stacking energy: -368.714
Base-Backbone interact. energy: -3.893
local terms energy: -401.267704
where:
bonds (distance) C4'-P energy: -84.539
bonds (distance) P-C4' energy: -93.065
flat angles C4'-P-C4' energy: -79.277
flat angles P-C4'-P energy: -38.439
tors. eta vs tors. theta energy: -105.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1087.734272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.734272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.734272 (E_RNA)
where:
Base-Base interactions energy: -709.202
where: short stacking energy: -300.481
Base-Backbone interact. energy: -1.557
local terms energy: -376.975974
where:
bonds (distance) C4'-P energy: -76.189
bonds (distance) P-C4' energy: -88.506
flat angles C4'-P-C4' energy: -102.594
flat angles P-C4'-P energy: -55.869
tors. eta vs tors. theta energy: -53.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -674.396304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.396304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.396304 (E_RNA)
where:
Base-Base interactions energy: -379.138
where: short stacking energy: -197.788
Base-Backbone interact. energy: 4.887
local terms energy: -300.145126
where:
bonds (distance) C4'-P energy: -87.204
bonds (distance) P-C4' energy: -76.871
flat angles C4'-P-C4' energy: -80.224
flat angles P-C4'-P energy: -53.343
tors. eta vs tors. theta energy: -2.504
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: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1833.275221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.275221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.275221 (E_RNA)
where:
Base-Base interactions energy: -1295.299
where: short stacking energy: -502.062
Base-Backbone interact. energy: -2.611
local terms energy: -535.365241
where:
bonds (distance) C4'-P energy: -106.909
bonds (distance) P-C4' energy: -105.654
flat angles C4'-P-C4' energy: -113.051
flat angles P-C4'-P energy: -77.060
tors. eta vs tors. theta energy: -132.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1796.642564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.642564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.642564 (E_RNA)
where:
Base-Base interactions energy: -1283.009
where: short stacking energy: -516.080
Base-Backbone interact. energy: 0.863
local terms energy: -514.495970
where:
bonds (distance) C4'-P energy: -81.310
bonds (distance) P-C4' energy: -97.715
flat angles C4'-P-C4' energy: -114.398
flat angles P-C4'-P energy: -74.778
tors. eta vs tors. theta energy: -146.294
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: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1659.501199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.501199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.501199 (E_RNA)
where:
Base-Base interactions energy: -1150.752
where: short stacking energy: -481.693
Base-Backbone interact. energy: -2.348
local terms energy: -506.401315
where:
bonds (distance) C4'-P energy: -103.564
bonds (distance) P-C4' energy: -94.006
flat angles C4'-P-C4' energy: -115.182
flat angles P-C4'-P energy: -56.121
tors. eta vs tors. theta energy: -137.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1629.352558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.352558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.352558 (E_RNA)
where:
Base-Base interactions energy: -1151.561
where: short stacking energy: -460.195
Base-Backbone interact. energy: -1.593
local terms energy: -476.198289
where:
bonds (distance) C4'-P energy: -90.912
bonds (distance) P-C4' energy: -103.097
flat angles C4'-P-C4' energy: -100.755
flat angles P-C4'-P energy: -66.992
tors. eta vs tors. theta energy: -114.442
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: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1507.721616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.721616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.721616 (E_RNA)
where:
Base-Base interactions energy: -1035.524
where: short stacking energy: -442.325
Base-Backbone interact. energy: 2.909
local terms energy: -475.106231
where:
bonds (distance) C4'-P energy: -88.349
bonds (distance) P-C4' energy: -89.249
flat angles C4'-P-C4' energy: -114.056
flat angles P-C4'-P energy: -66.358
tors. eta vs tors. theta energy: -117.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1366.395555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.395555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.395555 (E_RNA)
where:
Base-Base interactions energy: -933.967
where: short stacking energy: -373.903
Base-Backbone interact. energy: 2.193
local terms energy: -434.620744
where:
bonds (distance) C4'-P energy: -86.900
bonds (distance) P-C4' energy: -93.163
flat angles C4'-P-C4' energy: -87.517
flat angles P-C4'-P energy: -67.757
tors. eta vs tors. theta energy: -99.283
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: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1395.296572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.296572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.296572 (E_RNA)
where:
Base-Base interactions energy: -945.301
where: short stacking energy: -415.498
Base-Backbone interact. energy: -1.210
local terms energy: -448.785719
where:
bonds (distance) C4'-P energy: -95.159
bonds (distance) P-C4' energy: -97.177
flat angles C4'-P-C4' energy: -93.294
flat angles P-C4'-P energy: -64.126
tors. eta vs tors. theta energy: -99.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1262.264490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.264490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.264490 (E_RNA)
where:
Base-Base interactions energy: -860.234
where: short stacking energy: -342.636
Base-Backbone interact. energy: -1.044
local terms energy: -400.986559
where:
bonds (distance) C4'-P energy: -82.592
bonds (distance) P-C4' energy: -98.709
flat angles C4'-P-C4' energy: -95.211
flat angles P-C4'-P energy: -54.315
tors. eta vs tors. theta energy: -70.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1084.923307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.923307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.923307 (E_RNA)
where:
Base-Base interactions energy: -733.323
where: short stacking energy: -331.569
Base-Backbone interact. energy: -2.049
local terms energy: -349.552018
where:
bonds (distance) C4'-P energy: -65.281
bonds (distance) P-C4' energy: -81.218
flat angles C4'-P-C4' energy: -93.532
flat angles P-C4'-P energy: -45.354
tors. eta vs tors. theta energy: -64.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -660.989671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.989671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.989671 (E_RNA)
where:
Base-Base interactions energy: -344.486
where: short stacking energy: -176.657
Base-Backbone interact. energy: -0.915
local terms energy: -315.588240
where:
bonds (distance) C4'-P energy: -88.438
bonds (distance) P-C4' energy: -94.619
flat angles C4'-P-C4' energy: -78.872
flat angles P-C4'-P energy: -48.083
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: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1836.002099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.002099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.002099 (E_RNA)
where:
Base-Base interactions energy: -1295.148
where: short stacking energy: -514.264
Base-Backbone interact. energy: 0.193
local terms energy: -541.046730
where:
bonds (distance) C4'-P energy: -108.236
bonds (distance) P-C4' energy: -101.924
flat angles C4'-P-C4' energy: -116.558
flat angles P-C4'-P energy: -76.110
tors. eta vs tors. theta energy: -138.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1806.792762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.792762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.792762 (E_RNA)
where:
Base-Base interactions energy: -1262.805
where: short stacking energy: -522.732
Base-Backbone interact. energy: -5.308
local terms energy: -538.679947
where:
bonds (distance) C4'-P energy: -97.068
bonds (distance) P-C4' energy: -94.529
flat angles C4'-P-C4' energy: -119.703
flat angles P-C4'-P energy: -84.265
tors. eta vs tors. theta energy: -143.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1668.283179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.283179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.283179 (E_RNA)
where:
Base-Base interactions energy: -1155.315
where: short stacking energy: -486.592
Base-Backbone interact. energy: -2.317
local terms energy: -510.651515
where:
bonds (distance) C4'-P energy: -102.606
bonds (distance) P-C4' energy: -110.417
flat angles C4'-P-C4' energy: -104.241
flat angles P-C4'-P energy: -61.612
tors. eta vs tors. theta energy: -131.776
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: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1650.059532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.059532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.059532 (E_RNA)
where:
Base-Base interactions energy: -1170.927
where: short stacking energy: -466.487
Base-Backbone interact. energy: -5.309
local terms energy: -473.823853
where:
bonds (distance) C4'-P energy: -103.505
bonds (distance) P-C4' energy: -85.016
flat angles C4'-P-C4' energy: -101.989
flat angles P-C4'-P energy: -63.960
tors. eta vs tors. theta energy: -119.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1508.442274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.442274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.442274 (E_RNA)
where:
Base-Base interactions energy: -1064.862
where: short stacking energy: -439.629
Base-Backbone interact. energy: 2.964
local terms energy: -446.543629
where:
bonds (distance) C4'-P energy: -83.750
bonds (distance) P-C4' energy: -101.898
flat angles C4'-P-C4' energy: -92.551
flat angles P-C4'-P energy: -56.113
tors. eta vs tors. theta energy: -112.232
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: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1409.192631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.192631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.192631 (E_RNA)
where:
Base-Base interactions energy: -964.914
where: short stacking energy: -406.052
Base-Backbone interact. energy: -1.885
local terms energy: -442.393344
where:
bonds (distance) C4'-P energy: -80.298
bonds (distance) P-C4' energy: -105.048
flat angles C4'-P-C4' energy: -86.889
flat angles P-C4'-P energy: -70.803
tors. eta vs tors. theta energy: -99.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1382.125460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.125460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.125460 (E_RNA)
where:
Base-Base interactions energy: -938.394
where: short stacking energy: -392.220
Base-Backbone interact. energy: -1.280
local terms energy: -442.450549
where:
bonds (distance) C4'-P energy: -81.777
bonds (distance) P-C4' energy: -102.713
flat angles C4'-P-C4' energy: -99.404
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -101.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1246.386864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.386864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.386864 (E_RNA)
where:
Base-Base interactions energy: -857.436
where: short stacking energy: -354.164
Base-Backbone interact. energy: -0.889
local terms energy: -388.061455
where:
bonds (distance) C4'-P energy: -79.876
bonds (distance) P-C4' energy: -89.582
flat angles C4'-P-C4' energy: -76.182
flat angles P-C4'-P energy: -59.330
tors. eta vs tors. theta energy: -83.092
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: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1050.708080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.708080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.708080 (E_RNA)
where:
Base-Base interactions energy: -680.845
where: short stacking energy: -286.114
Base-Backbone interact. energy: 4.512
local terms energy: -374.375003
where:
bonds (distance) C4'-P energy: -75.310
bonds (distance) P-C4' energy: -99.699
flat angles C4'-P-C4' energy: -98.269
flat angles P-C4'-P energy: -48.715
tors. eta vs tors. theta energy: -52.381
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: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -668.893288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.893288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.893288 (E_RNA)
where:
Base-Base interactions energy: -367.190
where: short stacking energy: -204.050
Base-Backbone interact. energy: -0.522
local terms energy: -301.181049
where:
bonds (distance) C4'-P energy: -76.743
bonds (distance) P-C4' energy: -79.702
flat angles C4'-P-C4' energy: -81.438
flat angles P-C4'-P energy: -51.502
tors. eta vs tors. theta energy: -11.796
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: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1833.251963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.251963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.251963 (E_RNA)
where:
Base-Base interactions energy: -1301.613
where: short stacking energy: -509.489
Base-Backbone interact. energy: -1.727
local terms energy: -529.912045
where:
bonds (distance) C4'-P energy: -103.241
bonds (distance) P-C4' energy: -99.691
flat angles C4'-P-C4' energy: -107.344
flat angles P-C4'-P energy: -77.195
tors. eta vs tors. theta energy: -142.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1818.137840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.137840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.137840 (E_RNA)
where:
Base-Base interactions energy: -1269.545
where: short stacking energy: -509.267
Base-Backbone interact. energy: -4.796
local terms energy: -543.797083
where:
bonds (distance) C4'-P energy: -91.809
bonds (distance) P-C4' energy: -107.734
flat angles C4'-P-C4' energy: -113.473
flat angles P-C4'-P energy: -87.296
tors. eta vs tors. theta energy: -143.484
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: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1683.644195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.644195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.644195 (E_RNA)
where:
Base-Base interactions energy: -1159.227
where: short stacking energy: -471.358
Base-Backbone interact. energy: -3.914
local terms energy: -520.503355
where:
bonds (distance) C4'-P energy: -99.618
bonds (distance) P-C4' energy: -97.252
flat angles C4'-P-C4' energy: -119.756
flat angles P-C4'-P energy: -79.643
tors. eta vs tors. theta energy: -124.233
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: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1622.998353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.998353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.998353 (E_RNA)
where:
Base-Base interactions energy: -1131.590
where: short stacking energy: -481.869
Base-Backbone interact. energy: -0.104
local terms energy: -491.304380
where:
bonds (distance) C4'-P energy: -98.823
bonds (distance) P-C4' energy: -96.757
flat angles C4'-P-C4' energy: -105.708
flat angles P-C4'-P energy: -56.326
tors. eta vs tors. theta energy: -133.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1561.439704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.439704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.439704 (E_RNA)
where:
Base-Base interactions energy: -1077.567
where: short stacking energy: -454.359
Base-Backbone interact. energy: -2.357
local terms energy: -481.515874
where:
bonds (distance) C4'-P energy: -78.691
bonds (distance) P-C4' energy: -100.131
flat angles C4'-P-C4' energy: -105.393
flat angles P-C4'-P energy: -64.097
tors. eta vs tors. theta energy: -133.203
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: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1417.603687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.603687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.603687 (E_RNA)
where:
Base-Base interactions energy: -985.895
where: short stacking energy: -397.836
Base-Backbone interact. energy: -2.597
local terms energy: -429.112181
where:
bonds (distance) C4'-P energy: -85.536
bonds (distance) P-C4' energy: -92.474
flat angles C4'-P-C4' energy: -97.343
flat angles P-C4'-P energy: -61.435
tors. eta vs tors. theta energy: -92.325
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: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1311.286015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.286015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.286015 (E_RNA)
where:
Base-Base interactions energy: -921.563
where: short stacking energy: -388.520
Base-Backbone interact. energy: 3.568
local terms energy: -393.291283
where:
bonds (distance) C4'-P energy: -71.374
bonds (distance) P-C4' energy: -74.674
flat angles C4'-P-C4' energy: -105.138
flat angles P-C4'-P energy: -59.119
tors. eta vs tors. theta energy: -82.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1299.147970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.147970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.147970 (E_RNA)
where:
Base-Base interactions energy: -905.762
where: short stacking energy: -351.549
Base-Backbone interact. energy: -1.828
local terms energy: -391.557734
where:
bonds (distance) C4'-P energy: -71.016
bonds (distance) P-C4' energy: -86.599
flat angles C4'-P-C4' energy: -87.966
flat angles P-C4'-P energy: -63.298
tors. eta vs tors. theta energy: -82.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1076.483600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.483600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.483600 (E_RNA)
where:
Base-Base interactions energy: -714.631
where: short stacking energy: -329.774
Base-Backbone interact. energy: 0.182
local terms energy: -362.034904
where:
bonds (distance) C4'-P energy: -85.291
bonds (distance) P-C4' energy: -97.661
flat angles C4'-P-C4' energy: -76.556
flat angles P-C4'-P energy: -32.971
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: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -742.446170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.446170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.446170 (E_RNA)
where:
Base-Base interactions energy: -437.649
where: short stacking energy: -223.795
Base-Backbone interact. energy: 2.113
local terms energy: -306.910079
where:
bonds (distance) C4'-P energy: -80.614
bonds (distance) P-C4' energy: -85.820
flat angles C4'-P-C4' energy: -82.174
flat angles P-C4'-P energy: -46.778
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1833.491760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.491760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.491760 (E_RNA)
where:
Base-Base interactions energy: -1307.504
where: short stacking energy: -502.415
Base-Backbone interact. energy: -1.619
local terms energy: -524.369445
where:
bonds (distance) C4'-P energy: -109.514
bonds (distance) P-C4' energy: -105.616
flat angles C4'-P-C4' energy: -107.859
flat angles P-C4'-P energy: -68.404
tors. eta vs tors. theta energy: -132.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1811.937757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.937757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.937757 (E_RNA)
where:
Base-Base interactions energy: -1282.660
where: short stacking energy: -532.099
Base-Backbone interact. energy: -0.658
local terms energy: -528.619365
where:
bonds (distance) C4'-P energy: -102.382
bonds (distance) P-C4' energy: -116.894
flat angles C4'-P-C4' energy: -106.389
flat angles P-C4'-P energy: -64.994
tors. eta vs tors. theta energy: -137.960
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: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1679.205137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.205137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.205137 (E_RNA)
where:
Base-Base interactions energy: -1178.258
where: short stacking energy: -464.233
Base-Backbone interact. energy: -1.623
local terms energy: -499.324020
where:
bonds (distance) C4'-P energy: -97.400
bonds (distance) P-C4' energy: -90.463
flat angles C4'-P-C4' energy: -118.409
flat angles P-C4'-P energy: -79.035
tors. eta vs tors. theta energy: -114.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1655.854786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.854786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.854786 (E_RNA)
where:
Base-Base interactions energy: -1155.670
where: short stacking energy: -475.645
Base-Backbone interact. energy: -2.339
local terms energy: -497.845596
where:
bonds (distance) C4'-P energy: -91.690
bonds (distance) P-C4' energy: -104.256
flat angles C4'-P-C4' energy: -102.089
flat angles P-C4'-P energy: -71.600
tors. eta vs tors. theta energy: -128.211
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: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1555.003782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.003782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.003782 (E_RNA)
where:
Base-Base interactions energy: -1062.261
where: short stacking energy: -439.168
Base-Backbone interact. energy: -1.192
local terms energy: -491.550573
where:
bonds (distance) C4'-P energy: -94.438
bonds (distance) P-C4' energy: -102.003
flat angles C4'-P-C4' energy: -104.589
flat angles P-C4'-P energy: -67.213
tors. eta vs tors. theta energy: -123.308
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: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1445.325667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.325667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.325667 (E_RNA)
where:
Base-Base interactions energy: -1009.822
where: short stacking energy: -426.992
Base-Backbone interact. energy: -0.840
local terms energy: -434.664133
where:
bonds (distance) C4'-P energy: -90.877
bonds (distance) P-C4' energy: -83.689
flat angles C4'-P-C4' energy: -96.148
flat angles P-C4'-P energy: -62.997
tors. eta vs tors. theta energy: -100.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1351.181698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.181698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.181698 (E_RNA)
where:
Base-Base interactions energy: -935.377
where: short stacking energy: -393.596
Base-Backbone interact. energy: -0.506
local terms energy: -415.299037
where:
bonds (distance) C4'-P energy: -91.528
bonds (distance) P-C4' energy: -77.423
flat angles C4'-P-C4' energy: -96.289
flat angles P-C4'-P energy: -58.301
tors. eta vs tors. theta energy: -91.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1244.093884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.093884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.093884 (E_RNA)
where:
Base-Base interactions energy: -843.871
where: short stacking energy: -361.320
Base-Backbone interact. energy: -1.480
local terms energy: -398.743159
where:
bonds (distance) C4'-P energy: -77.567
bonds (distance) P-C4' energy: -83.042
flat angles C4'-P-C4' energy: -94.755
flat angles P-C4'-P energy: -63.838
tors. eta vs tors. theta energy: -79.541
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: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1072.807997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.807997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.807997 (E_RNA)
where:
Base-Base interactions energy: -697.168
where: short stacking energy: -296.708
Base-Backbone interact. energy: -2.767
local terms energy: -372.872897
where:
bonds (distance) C4'-P energy: -75.475
bonds (distance) P-C4' energy: -95.823
flat angles C4'-P-C4' energy: -75.493
flat angles P-C4'-P energy: -61.326
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: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -694.119812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.119812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.119812 (E_RNA)
where:
Base-Base interactions energy: -403.789
where: short stacking energy: -209.652
Base-Backbone interact. energy: -2.015
local terms energy: -288.315442
where:
bonds (distance) C4'-P energy: -81.390
bonds (distance) P-C4' energy: -73.420
flat angles C4'-P-C4' energy: -65.827
flat angles P-C4'-P energy: -62.830
tors. eta vs tors. theta energy: -4.848
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: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1803.929119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.929119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.929119 (E_RNA)
where:
Base-Base interactions energy: -1299.050
where: short stacking energy: -517.863
Base-Backbone interact. energy: -2.654
local terms energy: -502.224755
where:
bonds (distance) C4'-P energy: -98.515
bonds (distance) P-C4' energy: -94.420
flat angles C4'-P-C4' energy: -108.572
flat angles P-C4'-P energy: -58.357
tors. eta vs tors. theta energy: -142.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1800.925704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.925704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.925704 (E_RNA)
where:
Base-Base interactions energy: -1260.816
where: short stacking energy: -508.938
Base-Backbone interact. energy: -2.477
local terms energy: -537.632089
where:
bonds (distance) C4'-P energy: -106.547
bonds (distance) P-C4' energy: -102.248
flat angles C4'-P-C4' energy: -118.291
flat angles P-C4'-P energy: -71.430
tors. eta vs tors. theta energy: -139.116
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: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1665.547895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.547895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.547895 (E_RNA)
where:
Base-Base interactions energy: -1162.435
where: short stacking energy: -466.611
Base-Backbone interact. energy: -2.466
local terms energy: -500.646525
where:
bonds (distance) C4'-P energy: -96.912
bonds (distance) P-C4' energy: -102.631
flat angles C4'-P-C4' energy: -113.857
flat angles P-C4'-P energy: -64.790
tors. eta vs tors. theta energy: -122.457
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: 4, replica: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1619.588368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.588368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.588368 (E_RNA)
where:
Base-Base interactions energy: -1132.963
where: short stacking energy: -468.452
Base-Backbone interact. energy: -2.504
local terms energy: -484.121040
where:
bonds (distance) C4'-P energy: -100.157
bonds (distance) P-C4' energy: -83.282
flat angles C4'-P-C4' energy: -105.632
flat angles P-C4'-P energy: -74.638
tors. eta vs tors. theta energy: -120.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1516.195221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.195221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.195221 (E_RNA)
where:
Base-Base interactions energy: -1034.580
where: short stacking energy: -449.702
Base-Backbone interact. energy: -0.385
local terms energy: -481.229973
where:
bonds (distance) C4'-P energy: -88.283
bonds (distance) P-C4' energy: -89.869
flat angles C4'-P-C4' energy: -104.569
flat angles P-C4'-P energy: -80.934
tors. eta vs tors. theta energy: -117.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1422.117817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.117817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.117817 (E_RNA)
where:
Base-Base interactions energy: -976.752
where: short stacking energy: -422.348
Base-Backbone interact. energy: -1.511
local terms energy: -443.854558
where:
bonds (distance) C4'-P energy: -82.098
bonds (distance) P-C4' energy: -94.679
flat angles C4'-P-C4' energy: -91.489
flat angles P-C4'-P energy: -63.453
tors. eta vs tors. theta energy: -112.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1338.894954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.894954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.894954 (E_RNA)
where:
Base-Base interactions energy: -913.998
where: short stacking energy: -380.241
Base-Backbone interact. energy: -3.314
local terms energy: -421.582864
where:
bonds (distance) C4'-P energy: -79.550
bonds (distance) P-C4' energy: -82.723
flat angles C4'-P-C4' energy: -101.762
flat angles P-C4'-P energy: -64.365
tors. eta vs tors. theta energy: -93.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1208.950625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.950625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.950625 (E_RNA)
where:
Base-Base interactions energy: -830.468
where: short stacking energy: -364.642
Base-Backbone interact. energy: 9.174
local terms energy: -387.656263
where:
bonds (distance) C4'-P energy: -59.753
bonds (distance) P-C4' energy: -86.528
flat angles C4'-P-C4' energy: -97.278
flat angles P-C4'-P energy: -67.464
tors. eta vs tors. theta energy: -76.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1104.750649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.750649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.750649 (E_RNA)
where:
Base-Base interactions energy: -736.582
where: short stacking energy: -301.471
Base-Backbone interact. energy: -0.108
local terms energy: -368.061135
where:
bonds (distance) C4'-P energy: -76.945
bonds (distance) P-C4' energy: -84.835
flat angles C4'-P-C4' energy: -93.230
flat angles P-C4'-P energy: -52.146
tors. eta vs tors. theta energy: -60.905
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: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -668.658468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.658468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.658468 (E_RNA)
where:
Base-Base interactions energy: -365.029
where: short stacking energy: -171.168
Base-Backbone interact. energy: -1.167
local terms energy: -302.462638
where:
bonds (distance) C4'-P energy: -86.069
bonds (distance) P-C4' energy: -97.536
flat angles C4'-P-C4' energy: -66.414
flat angles P-C4'-P energy: -57.037
tors. eta vs tors. theta energy: 4.594
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: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1820.245758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.245758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.245758 (E_RNA)
where:
Base-Base interactions energy: -1285.174
where: short stacking energy: -517.176
Base-Backbone interact. energy: -0.045
local terms energy: -535.026760
where:
bonds (distance) C4'-P energy: -97.550
bonds (distance) P-C4' energy: -112.454
flat angles C4'-P-C4' energy: -120.679
flat angles P-C4'-P energy: -61.158
tors. eta vs tors. theta energy: -143.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1774.713285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.713285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.713285 (E_RNA)
where:
Base-Base interactions energy: -1258.153
where: short stacking energy: -491.618
Base-Backbone interact. energy: -4.993
local terms energy: -511.567007
where:
bonds (distance) C4'-P energy: -95.728
bonds (distance) P-C4' energy: -98.724
flat angles C4'-P-C4' energy: -112.691
flat angles P-C4'-P energy: -70.297
tors. eta vs tors. theta energy: -134.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1693.122916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.122916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.122916 (E_RNA)
where:
Base-Base interactions energy: -1191.018
where: short stacking energy: -473.801
Base-Backbone interact. energy: -0.548
local terms energy: -501.556930
where:
bonds (distance) C4'-P energy: -91.636
bonds (distance) P-C4' energy: -94.335
flat angles C4'-P-C4' energy: -117.694
flat angles P-C4'-P energy: -74.273
tors. eta vs tors. theta energy: -123.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1597.667199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.667199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.667199 (E_RNA)
where:
Base-Base interactions energy: -1080.817
where: short stacking energy: -448.292
Base-Backbone interact. energy: -0.743
local terms energy: -516.106654
where:
bonds (distance) C4'-P energy: -96.556
bonds (distance) P-C4' energy: -110.269
flat angles C4'-P-C4' energy: -107.736
flat angles P-C4'-P energy: -79.654
tors. eta vs tors. theta energy: -121.892
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: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1530.302099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.302099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.302099 (E_RNA)
where:
Base-Base interactions energy: -1070.794
where: short stacking energy: -433.819
Base-Backbone interact. energy: -2.171
local terms energy: -457.337363
where:
bonds (distance) C4'-P energy: -87.603
bonds (distance) P-C4' energy: -84.064
flat angles C4'-P-C4' energy: -95.174
flat angles P-C4'-P energy: -69.987
tors. eta vs tors. theta energy: -120.508
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: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1432.415197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.415197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.415197 (E_RNA)
where:
Base-Base interactions energy: -985.327
where: short stacking energy: -418.187
Base-Backbone interact. energy: 2.626
local terms energy: -449.714338
where:
bonds (distance) C4'-P energy: -86.476
bonds (distance) P-C4' energy: -87.507
flat angles C4'-P-C4' energy: -110.833
flat angles P-C4'-P energy: -62.563
tors. eta vs tors. theta energy: -102.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1326.559548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.559548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.559548 (E_RNA)
where:
Base-Base interactions energy: -903.047
where: short stacking energy: -382.329
Base-Backbone interact. energy: 2.007
local terms energy: -425.520361
where:
bonds (distance) C4'-P energy: -82.252
bonds (distance) P-C4' energy: -93.163
flat angles C4'-P-C4' energy: -83.194
flat angles P-C4'-P energy: -65.237
tors. eta vs tors. theta energy: -101.674
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: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1279.610756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.610756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.610756 (E_RNA)
where:
Base-Base interactions energy: -865.506
where: short stacking energy: -363.078
Base-Backbone interact. energy: 4.850
local terms energy: -418.954868
where:
bonds (distance) C4'-P energy: -81.962
bonds (distance) P-C4' energy: -94.876
flat angles C4'-P-C4' energy: -93.258
flat angles P-C4'-P energy: -52.766
tors. eta vs tors. theta energy: -96.093
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: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1089.809864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.809864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.809864 (E_RNA)
where:
Base-Base interactions energy: -705.003
where: short stacking energy: -297.070
Base-Backbone interact. energy: 1.293
local terms energy: -386.099686
where:
bonds (distance) C4'-P energy: -82.256
bonds (distance) P-C4' energy: -101.218
flat angles C4'-P-C4' energy: -92.411
flat angles P-C4'-P energy: -50.664
tors. eta vs tors. theta energy: -59.551
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: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -689.726499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.726499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.726499 (E_RNA)
where:
Base-Base interactions energy: -407.604
where: short stacking energy: -203.015
Base-Backbone interact. energy: -2.020
local terms energy: -280.103300
where:
bonds (distance) C4'-P energy: -88.335
bonds (distance) P-C4' energy: -90.393
flat angles C4'-P-C4' energy: -63.738
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -12.358
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: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1812.063642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.063642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.063642 (E_RNA)
where:
Base-Base interactions energy: -1279.623
where: short stacking energy: -532.289
Base-Backbone interact. energy: -0.204
local terms energy: -532.236140
where:
bonds (distance) C4'-P energy: -90.139
bonds (distance) P-C4' energy: -108.807
flat angles C4'-P-C4' energy: -115.925
flat angles P-C4'-P energy: -71.779
tors. eta vs tors. theta energy: -145.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1787.001015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.001015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.001015 (E_RNA)
where:
Base-Base interactions energy: -1277.992
where: short stacking energy: -513.211
Base-Backbone interact. energy: -0.011
local terms energy: -508.997838
where:
bonds (distance) C4'-P energy: -86.708
bonds (distance) P-C4' energy: -95.644
flat angles C4'-P-C4' energy: -113.574
flat angles P-C4'-P energy: -76.430
tors. eta vs tors. theta energy: -136.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1681.550961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.550961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.550961 (E_RNA)
where:
Base-Base interactions energy: -1164.265
where: short stacking energy: -473.590
Base-Backbone interact. energy: -4.390
local terms energy: -512.895661
where:
bonds (distance) C4'-P energy: -99.271
bonds (distance) P-C4' energy: -98.966
flat angles C4'-P-C4' energy: -117.375
flat angles P-C4'-P energy: -69.470
tors. eta vs tors. theta energy: -127.813
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: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1605.099896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.099896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.099896 (E_RNA)
where:
Base-Base interactions energy: -1114.500
where: short stacking energy: -462.474
Base-Backbone interact. energy: -1.500
local terms energy: -489.099467
where:
bonds (distance) C4'-P energy: -100.114
bonds (distance) P-C4' energy: -94.406
flat angles C4'-P-C4' energy: -103.550
flat angles P-C4'-P energy: -63.242
tors. eta vs tors. theta energy: -127.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1520.226431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.226431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.226431 (E_RNA)
where:
Base-Base interactions energy: -1046.116
where: short stacking energy: -426.568
Base-Backbone interact. energy: -2.972
local terms energy: -471.138066
where:
bonds (distance) C4'-P energy: -95.200
bonds (distance) P-C4' energy: -88.919
flat angles C4'-P-C4' energy: -104.325
flat angles P-C4'-P energy: -78.154
tors. eta vs tors. theta energy: -104.541
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: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1458.208108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.208108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.208108 (E_RNA)
where:
Base-Base interactions energy: -987.726
where: short stacking energy: -430.542
Base-Backbone interact. energy: -3.485
local terms energy: -466.997237
where:
bonds (distance) C4'-P energy: -90.919
bonds (distance) P-C4' energy: -95.497
flat angles C4'-P-C4' energy: -104.553
flat angles P-C4'-P energy: -60.382
tors. eta vs tors. theta energy: -115.645
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: 48
Temperature: 1.200000
Total energy: -1323.740636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.740636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.740636 (E_RNA)
where:
Base-Base interactions energy: -918.650
where: short stacking energy: -380.061
Base-Backbone interact. energy: -0.991
local terms energy: -404.099251
where:
bonds (distance) C4'-P energy: -67.816
bonds (distance) P-C4' energy: -93.878
flat angles C4'-P-C4' energy: -81.380
flat angles P-C4'-P energy: -63.595
tors. eta vs tors. theta energy: -97.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1196.979749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.979749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.979749 (E_RNA)
where:
Base-Base interactions energy: -802.015
where: short stacking energy: -349.042
Base-Backbone interact. energy: -2.869
local terms energy: -392.096281
where:
bonds (distance) C4'-P energy: -76.956
bonds (distance) P-C4' energy: -84.191
flat angles C4'-P-C4' energy: -87.068
flat angles P-C4'-P energy: -76.076
tors. eta vs tors. theta energy: -67.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1104.327113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.327113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.327113 (E_RNA)
where:
Base-Base interactions energy: -708.737
where: short stacking energy: -328.214
Base-Backbone interact. energy: 5.229
local terms energy: -400.818495
where:
bonds (distance) C4'-P energy: -80.424
bonds (distance) P-C4' energy: -82.057
flat angles C4'-P-C4' energy: -108.611
flat angles P-C4'-P energy: -58.870
tors. eta vs tors. theta energy: -70.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -745.805506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.805506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.805506 (E_RNA)
where:
Base-Base interactions energy: -436.721
where: short stacking energy: -198.018
Base-Backbone interact. energy: 3.191
local terms energy: -312.274866
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -98.709
flat angles C4'-P-C4' energy: -71.903
flat angles P-C4'-P energy: -57.032
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1849.547786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.547786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.547786 (E_RNA)
where:
Base-Base interactions energy: -1286.132
where: short stacking energy: -526.492
Base-Backbone interact. energy: -2.398
local terms energy: -561.017544
where:
bonds (distance) C4'-P energy: -109.407
bonds (distance) P-C4' energy: -110.993
flat angles C4'-P-C4' energy: -114.555
flat angles P-C4'-P energy: -80.994
tors. eta vs tors. theta energy: -145.068
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: 49
Temperature: 0.950000
Total energy: -1780.748062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.748062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.748062 (E_RNA)
where:
Base-Base interactions energy: -1248.744
where: short stacking energy: -525.659
Base-Backbone interact. energy: -1.727
local terms energy: -530.277180
where:
bonds (distance) C4'-P energy: -93.496
bonds (distance) P-C4' energy: -98.797
flat angles C4'-P-C4' energy: -109.445
flat angles P-C4'-P energy: -81.136
tors. eta vs tors. theta energy: -147.402
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: 49
Temperature: 1.000000
Total energy: -1678.823398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.823398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.823398 (E_RNA)
where:
Base-Base interactions energy: -1172.887
where: short stacking energy: -461.065
Base-Backbone interact. energy: -5.181
local terms energy: -500.755275
where:
bonds (distance) C4'-P energy: -101.387
bonds (distance) P-C4' energy: -96.587
flat angles C4'-P-C4' energy: -114.450
flat angles P-C4'-P energy: -62.079
tors. eta vs tors. theta energy: -126.251
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: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1602.527850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.527850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.527850 (E_RNA)
where:
Base-Base interactions energy: -1116.377
where: short stacking energy: -472.630
Base-Backbone interact. energy: -1.903
local terms energy: -484.248387
where:
bonds (distance) C4'-P energy: -90.162
bonds (distance) P-C4' energy: -98.510
flat angles C4'-P-C4' energy: -99.872
flat angles P-C4'-P energy: -74.485
tors. eta vs tors. theta energy: -121.219
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: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1522.466845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.466845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.466845 (E_RNA)
where:
Base-Base interactions energy: -1081.262
where: short stacking energy: -419.690
Base-Backbone interact. energy: 6.617
local terms energy: -447.821905
where:
bonds (distance) C4'-P energy: -95.524
bonds (distance) P-C4' energy: -93.077
flat angles C4'-P-C4' energy: -106.266
flat angles P-C4'-P energy: -55.563
tors. eta vs tors. theta energy: -97.392
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: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1437.144731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.144731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.144731 (E_RNA)
where:
Base-Base interactions energy: -1008.933
where: short stacking energy: -410.779
Base-Backbone interact. energy: -0.466
local terms energy: -427.745987
where:
bonds (distance) C4'-P energy: -86.966
bonds (distance) P-C4' energy: -88.336
flat angles C4'-P-C4' energy: -98.912
flat angles P-C4'-P energy: -52.930
tors. eta vs tors. theta energy: -100.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1322.620688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.620688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.620688 (E_RNA)
where:
Base-Base interactions energy: -919.368
where: short stacking energy: -377.994
Base-Backbone interact. energy: 1.489
local terms energy: -404.741716
where:
bonds (distance) C4'-P energy: -88.894
bonds (distance) P-C4' energy: -80.147
flat angles C4'-P-C4' energy: -92.019
flat angles P-C4'-P energy: -67.218
tors. eta vs tors. theta energy: -76.463
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: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1237.272756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.272756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.272756 (E_RNA)
where:
Base-Base interactions energy: -847.213
where: short stacking energy: -338.634
Base-Backbone interact. energy: -2.797
local terms energy: -387.262612
where:
bonds (distance) C4'-P energy: -79.067
bonds (distance) P-C4' energy: -80.183
flat angles C4'-P-C4' energy: -95.242
flat angles P-C4'-P energy: -61.756
tors. eta vs tors. theta energy: -71.015
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: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1085.363218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.363218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.363218 (E_RNA)
where:
Base-Base interactions energy: -724.867
where: short stacking energy: -302.174
Base-Backbone interact. energy: 0.804
local terms energy: -361.300680
where:
bonds (distance) C4'-P energy: -80.047
bonds (distance) P-C4' energy: -80.882
flat angles C4'-P-C4' energy: -88.064
flat angles P-C4'-P energy: -56.837
tors. eta vs tors. theta energy: -55.471
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: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -770.351303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.351303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.351303 (E_RNA)
where:
Base-Base interactions energy: -479.374
where: short stacking energy: -237.807
Base-Backbone interact. energy: 2.617
local terms energy: -293.594274
where:
bonds (distance) C4'-P energy: -67.098
bonds (distance) P-C4' energy: -92.228
flat angles C4'-P-C4' energy: -94.925
flat angles P-C4'-P energy: -20.838
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: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1824.134743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.134743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.134743 (E_RNA)
where:
Base-Base interactions energy: -1267.298
where: short stacking energy: -515.794
Base-Backbone interact. energy: -3.815
local terms energy: -553.021281
where:
bonds (distance) C4'-P energy: -98.711
bonds (distance) P-C4' energy: -112.312
flat angles C4'-P-C4' energy: -116.400
flat angles P-C4'-P energy: -80.388
tors. eta vs tors. theta energy: -145.210
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: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1769.782747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.782747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.782747 (E_RNA)
where:
Base-Base interactions energy: -1252.296
where: short stacking energy: -508.609
Base-Backbone interact. energy: -2.963
local terms energy: -514.523106
where:
bonds (distance) C4'-P energy: -99.646
bonds (distance) P-C4' energy: -97.993
flat angles C4'-P-C4' energy: -112.716
flat angles P-C4'-P energy: -65.284
tors. eta vs tors. theta energy: -138.885
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: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1687.486594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.486594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.486594 (E_RNA)
where:
Base-Base interactions energy: -1185.589
where: short stacking energy: -502.422
Base-Backbone interact. energy: -4.274
local terms energy: -497.623522
where:
bonds (distance) C4'-P energy: -94.675
bonds (distance) P-C4' energy: -95.934
flat angles C4'-P-C4' energy: -107.897
flat angles P-C4'-P energy: -66.414
tors. eta vs tors. theta energy: -132.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1605.968270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.968270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.968270 (E_RNA)
where:
Base-Base interactions energy: -1118.589
where: short stacking energy: -467.246
Base-Backbone interact. energy: -3.512
local terms energy: -483.867086
where:
bonds (distance) C4'-P energy: -83.910
bonds (distance) P-C4' energy: -97.400
flat angles C4'-P-C4' energy: -105.323
flat angles P-C4'-P energy: -66.759
tors. eta vs tors. theta energy: -130.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1518.872619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.872619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.872619 (E_RNA)
where:
Base-Base interactions energy: -1058.581
where: short stacking energy: -426.271
Base-Backbone interact. energy: -2.066
local terms energy: -458.226340
where:
bonds (distance) C4'-P energy: -85.574
bonds (distance) P-C4' energy: -83.308
flat angles C4'-P-C4' energy: -101.271
flat angles P-C4'-P energy: -67.216
tors. eta vs tors. theta energy: -120.857
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: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1452.367680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.367680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.367680 (E_RNA)
where:
Base-Base interactions energy: -1011.027
where: short stacking energy: -417.663
Base-Backbone interact. energy: -0.923
local terms energy: -440.417387
where:
bonds (distance) C4'-P energy: -84.971
bonds (distance) P-C4' energy: -91.279
flat angles C4'-P-C4' energy: -98.516
flat angles P-C4'-P energy: -62.567
tors. eta vs tors. theta energy: -103.085
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: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1344.559452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.559452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.559452 (E_RNA)
where:
Base-Base interactions energy: -915.867
where: short stacking energy: -402.881
Base-Backbone interact. energy: -2.525
local terms energy: -426.167842
where:
bonds (distance) C4'-P energy: -76.939
bonds (distance) P-C4' energy: -83.880
flat angles C4'-P-C4' energy: -101.705
flat angles P-C4'-P energy: -66.571
tors. eta vs tors. theta energy: -97.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1314.987754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.987754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.987754 (E_RNA)
where:
Base-Base interactions energy: -888.494
where: short stacking energy: -371.978
Base-Backbone interact. energy: 0.788
local terms energy: -427.281469
where:
bonds (distance) C4'-P energy: -73.554
bonds (distance) P-C4' energy: -103.464
flat angles C4'-P-C4' energy: -88.897
flat angles P-C4'-P energy: -61.151
tors. eta vs tors. theta energy: -100.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -1046.614715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.614715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.614715 (E_RNA)
where:
Base-Base interactions energy: -691.686
where: short stacking energy: -278.343
Base-Backbone interact. energy: 2.818
local terms energy: -357.746904
where:
bonds (distance) C4'-P energy: -85.955
bonds (distance) P-C4' energy: -86.255
flat angles C4'-P-C4' energy: -78.677
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -55.849
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: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -748.478240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.478240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.478240 (E_RNA)
where:
Base-Base interactions energy: -431.044
where: short stacking energy: -222.248
Base-Backbone interact. energy: 1.926
local terms energy: -319.360115
where:
bonds (distance) C4'-P energy: -73.290
bonds (distance) P-C4' energy: -98.605
flat angles C4'-P-C4' energy: -75.558
flat angles P-C4'-P energy: -51.456
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: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1829.239765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.239765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.239765 (E_RNA)
where:
Base-Base interactions energy: -1296.918
where: short stacking energy: -519.035
Base-Backbone interact. energy: -3.524
local terms energy: -528.797777
where:
bonds (distance) C4'-P energy: -94.198
bonds (distance) P-C4' energy: -101.878
flat angles C4'-P-C4' energy: -116.666
flat angles P-C4'-P energy: -76.456
tors. eta vs tors. theta energy: -139.600
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: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1781.634805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.634805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.634805 (E_RNA)
where:
Base-Base interactions energy: -1251.152
where: short stacking energy: -517.831
Base-Backbone interact. energy: 1.687
local terms energy: -532.169784
where:
bonds (distance) C4'-P energy: -113.719
bonds (distance) P-C4' energy: -90.243
flat angles C4'-P-C4' energy: -114.234
flat angles P-C4'-P energy: -76.123
tors. eta vs tors. theta energy: -137.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1697.151433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.151433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.151433 (E_RNA)
where:
Base-Base interactions energy: -1185.952
where: short stacking energy: -482.575
Base-Backbone interact. energy: 1.400
local terms energy: -512.599552
where:
bonds (distance) C4'-P energy: -95.686
bonds (distance) P-C4' energy: -100.570
flat angles C4'-P-C4' energy: -121.563
flat angles P-C4'-P energy: -63.466
tors. eta vs tors. theta energy: -131.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1610.584610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.584610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.584610 (E_RNA)
where:
Base-Base interactions energy: -1154.172
where: short stacking energy: -452.925
Base-Backbone interact. energy: 0.201
local terms energy: -456.613144
where:
bonds (distance) C4'-P energy: -90.343
bonds (distance) P-C4' energy: -98.227
flat angles C4'-P-C4' energy: -104.560
flat angles P-C4'-P energy: -67.008
tors. eta vs tors. theta energy: -96.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1534.743965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.743965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.743965 (E_RNA)
where:
Base-Base interactions energy: -1060.043
where: short stacking energy: -432.345
Base-Backbone interact. energy: -0.825
local terms energy: -473.876740
where:
bonds (distance) C4'-P energy: -95.329
bonds (distance) P-C4' energy: -90.712
flat angles C4'-P-C4' energy: -106.955
flat angles P-C4'-P energy: -68.208
tors. eta vs tors. theta energy: -112.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1508.457062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.457062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.457062 (E_RNA)
where:
Base-Base interactions energy: -1055.017
where: short stacking energy: -434.315
Base-Backbone interact. energy: -0.866
local terms energy: -452.573357
where:
bonds (distance) C4'-P energy: -82.962
bonds (distance) P-C4' energy: -87.890
flat angles C4'-P-C4' energy: -94.310
flat angles P-C4'-P energy: -66.806
tors. eta vs tors. theta energy: -120.605
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: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1299.508003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.508003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.508003 (E_RNA)
where:
Base-Base interactions energy: -901.731
where: short stacking energy: -358.804
Base-Backbone interact. energy: 2.292
local terms energy: -400.068600
where:
bonds (distance) C4'-P energy: -71.902
bonds (distance) P-C4' energy: -83.340
flat angles C4'-P-C4' energy: -94.633
flat angles P-C4'-P energy: -56.239
tors. eta vs tors. theta energy: -93.954
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: 51
Temperature: 1.250000
Total energy: -1327.564998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.564998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.564998 (E_RNA)
where:
Base-Base interactions energy: -908.908
where: short stacking energy: -359.874
Base-Backbone interact. energy: 5.953
local terms energy: -424.609740
where:
bonds (distance) C4'-P energy: -87.688
bonds (distance) P-C4' energy: -90.803
flat angles C4'-P-C4' energy: -102.692
flat angles P-C4'-P energy: -57.522
tors. eta vs tors. theta energy: -85.904
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: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1062.940445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.940445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.940445 (E_RNA)
where:
Base-Base interactions energy: -671.005
where: short stacking energy: -279.974
Base-Backbone interact. energy: -2.132
local terms energy: -389.803023
where:
bonds (distance) C4'-P energy: -96.682
bonds (distance) P-C4' energy: -84.725
flat angles C4'-P-C4' energy: -88.928
flat angles P-C4'-P energy: -58.508
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: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -741.066920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.066920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.066920 (E_RNA)
where:
Base-Base interactions energy: -438.967
where: short stacking energy: -217.683
Base-Backbone interact. energy: -1.180
local terms energy: -300.919512
where:
bonds (distance) C4'-P energy: -66.784
bonds (distance) P-C4' energy: -96.489
flat angles C4'-P-C4' energy: -79.525
flat angles P-C4'-P energy: -43.357
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1840.590733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.590733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.590733 (E_RNA)
where:
Base-Base interactions energy: -1309.172
where: short stacking energy: -527.537
Base-Backbone interact. energy: -1.817
local terms energy: -529.602258
where:
bonds (distance) C4'-P energy: -103.077
bonds (distance) P-C4' energy: -106.195
flat angles C4'-P-C4' energy: -119.434
flat angles P-C4'-P energy: -57.780
tors. eta vs tors. theta energy: -143.116
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: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1786.971802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.971802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.971802 (E_RNA)
where:
Base-Base interactions energy: -1258.876
where: short stacking energy: -507.073
Base-Backbone interact. energy: -2.335
local terms energy: -525.760459
where:
bonds (distance) C4'-P energy: -103.028
bonds (distance) P-C4' energy: -93.228
flat angles C4'-P-C4' energy: -111.366
flat angles P-C4'-P energy: -73.599
tors. eta vs tors. theta energy: -144.540
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: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1640.972439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.972439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.972439 (E_RNA)
where:
Base-Base interactions energy: -1147.255
where: short stacking energy: -435.784
Base-Backbone interact. energy: -3.570
local terms energy: -490.147722
where:
bonds (distance) C4'-P energy: -84.750
bonds (distance) P-C4' energy: -104.914
flat angles C4'-P-C4' energy: -118.887
flat angles P-C4'-P energy: -72.113
tors. eta vs tors. theta energy: -109.484
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: 52
Temperature: 1.050000
Total energy: -1614.271610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.271610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.271610 (E_RNA)
where:
Base-Base interactions energy: -1127.059
where: short stacking energy: -453.764
Base-Backbone interact. energy: -1.874
local terms energy: -485.338519
where:
bonds (distance) C4'-P energy: -91.013
bonds (distance) P-C4' energy: -106.233
flat angles C4'-P-C4' energy: -102.967
flat angles P-C4'-P energy: -67.795
tors. eta vs tors. theta energy: -117.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1512.133007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.133007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.133007 (E_RNA)
where:
Base-Base interactions energy: -1051.657
where: short stacking energy: -408.324
Base-Backbone interact. energy: 1.221
local terms energy: -461.696689
where:
bonds (distance) C4'-P energy: -85.304
bonds (distance) P-C4' energy: -98.423
flat angles C4'-P-C4' energy: -98.470
flat angles P-C4'-P energy: -70.934
tors. eta vs tors. theta energy: -108.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1507.694206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.694206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.694206 (E_RNA)
where:
Base-Base interactions energy: -1049.577
where: short stacking energy: -441.585
Base-Backbone interact. energy: 0.750
local terms energy: -458.866857
where:
bonds (distance) C4'-P energy: -81.494
bonds (distance) P-C4' energy: -90.674
flat angles C4'-P-C4' energy: -100.316
flat angles P-C4'-P energy: -61.197
tors. eta vs tors. theta energy: -125.186
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: 7, replica: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1355.191405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.191405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.191405 (E_RNA)
where:
Base-Base interactions energy: -927.421
where: short stacking energy: -375.073
Base-Backbone interact. energy: -0.356
local terms energy: -427.414051
where:
bonds (distance) C4'-P energy: -83.666
bonds (distance) P-C4' energy: -94.972
flat angles C4'-P-C4' energy: -104.639
flat angles P-C4'-P energy: -52.363
tors. eta vs tors. theta energy: -91.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1344.314551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.314551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.314551 (E_RNA)
where:
Base-Base interactions energy: -927.828
where: short stacking energy: -360.199
Base-Backbone interact. energy: 0.497
local terms energy: -416.982742
where:
bonds (distance) C4'-P energy: -79.206
bonds (distance) P-C4' energy: -87.068
flat angles C4'-P-C4' energy: -100.690
flat angles P-C4'-P energy: -66.174
tors. eta vs tors. theta energy: -83.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1087.166010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.166010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.166010 (E_RNA)
where:
Base-Base interactions energy: -694.014
where: short stacking energy: -318.495
Base-Backbone interact. energy: -1.439
local terms energy: -391.712423
where:
bonds (distance) C4'-P energy: -80.586
bonds (distance) P-C4' energy: -95.558
flat angles C4'-P-C4' energy: -86.508
flat angles P-C4'-P energy: -67.589
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: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -759.813222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.813222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.813222 (E_RNA)
where:
Base-Base interactions energy: -459.073
where: short stacking energy: -215.850
Base-Backbone interact. energy: -1.549
local terms energy: -299.191854
where:
bonds (distance) C4'-P energy: -97.136
bonds (distance) P-C4' energy: -81.834
flat angles C4'-P-C4' energy: -75.647
flat angles P-C4'-P energy: -26.727
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1851.381308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.381308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.381308 (E_RNA)
where:
Base-Base interactions energy: -1299.953
where: short stacking energy: -526.219
Base-Backbone interact. energy: -3.967
local terms energy: -547.461533
where:
bonds (distance) C4'-P energy: -107.310
bonds (distance) P-C4' energy: -100.755
flat angles C4'-P-C4' energy: -112.856
flat angles P-C4'-P energy: -78.769
tors. eta vs tors. theta energy: -147.772
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: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1789.589499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.589499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.589499 (E_RNA)
where:
Base-Base interactions energy: -1263.644
where: short stacking energy: -511.230
Base-Backbone interact. energy: -1.856
local terms energy: -524.089812
where:
bonds (distance) C4'-P energy: -89.931
bonds (distance) P-C4' energy: -105.322
flat angles C4'-P-C4' energy: -114.022
flat angles P-C4'-P energy: -78.677
tors. eta vs tors. theta energy: -136.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1665.966939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.966939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.966939 (E_RNA)
where:
Base-Base interactions energy: -1188.016
where: short stacking energy: -464.204
Base-Backbone interact. energy: -1.819
local terms energy: -476.131886
where:
bonds (distance) C4'-P energy: -98.360
bonds (distance) P-C4' energy: -98.451
flat angles C4'-P-C4' energy: -103.879
flat angles P-C4'-P energy: -55.072
tors. eta vs tors. theta energy: -120.369
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: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1602.240158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.240158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.240158 (E_RNA)
where:
Base-Base interactions energy: -1139.414
where: short stacking energy: -456.339
Base-Backbone interact. energy: -2.078
local terms energy: -460.748158
where:
bonds (distance) C4'-P energy: -69.274
bonds (distance) P-C4' energy: -104.855
flat angles C4'-P-C4' energy: -105.908
flat angles P-C4'-P energy: -70.371
tors. eta vs tors. theta energy: -110.340
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: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1515.885964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.885964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.885964 (E_RNA)
where:
Base-Base interactions energy: -1078.653
where: short stacking energy: -411.305
Base-Backbone interact. energy: -0.072
local terms energy: -437.160802
where:
bonds (distance) C4'-P energy: -84.597
bonds (distance) P-C4' energy: -98.620
flat angles C4'-P-C4' energy: -99.575
flat angles P-C4'-P energy: -50.858
tors. eta vs tors. theta energy: -103.511
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: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1456.476705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.476705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.476705 (E_RNA)
where:
Base-Base interactions energy: -994.662
where: short stacking energy: -399.969
Base-Backbone interact. energy: -5.170
local terms energy: -456.645000
where:
bonds (distance) C4'-P energy: -85.399
bonds (distance) P-C4' energy: -91.266
flat angles C4'-P-C4' energy: -113.840
flat angles P-C4'-P energy: -56.224
tors. eta vs tors. theta energy: -109.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1386.932316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.932316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.932316 (E_RNA)
where:
Base-Base interactions energy: -941.259
where: short stacking energy: -407.618
Base-Backbone interact. energy: 1.456
local terms energy: -447.129401
where:
bonds (distance) C4'-P energy: -102.937
bonds (distance) P-C4' energy: -82.509
flat angles C4'-P-C4' energy: -94.191
flat angles P-C4'-P energy: -70.245
tors. eta vs tors. theta energy: -97.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1324.197153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.197153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.197153 (E_RNA)
where:
Base-Base interactions energy: -916.585
where: short stacking energy: -387.296
Base-Backbone interact. energy: 1.349
local terms energy: -408.961183
where:
bonds (distance) C4'-P energy: -76.439
bonds (distance) P-C4' energy: -83.733
flat angles C4'-P-C4' energy: -83.198
flat angles P-C4'-P energy: -70.154
tors. eta vs tors. theta energy: -95.437
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: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1013.137787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.137787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.137787 (E_RNA)
where:
Base-Base interactions energy: -675.686
where: short stacking energy: -288.775
Base-Backbone interact. energy: -1.423
local terms energy: -336.028015
where:
bonds (distance) C4'-P energy: -71.414
bonds (distance) P-C4' energy: -88.420
flat angles C4'-P-C4' energy: -89.607
flat angles P-C4'-P energy: -45.879
tors. eta vs tors. theta energy: -40.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -740.388016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.388016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.388016 (E_RNA)
where:
Base-Base interactions energy: -425.509
where: short stacking energy: -225.195
Base-Backbone interact. energy: -0.468
local terms energy: -314.411312
where:
bonds (distance) C4'-P energy: -68.639
bonds (distance) P-C4' energy: -81.797
flat angles C4'-P-C4' energy: -90.767
flat angles P-C4'-P energy: -59.905
tors. eta vs tors. theta energy: -13.303
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: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1861.698028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.698028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.698028 (E_RNA)
where:
Base-Base interactions energy: -1292.169
where: short stacking energy: -501.249
Base-Backbone interact. energy: -6.304
local terms energy: -563.224434
where:
bonds (distance) C4'-P energy: -108.692
bonds (distance) P-C4' energy: -109.317
flat angles C4'-P-C4' energy: -121.507
flat angles P-C4'-P energy: -85.089
tors. eta vs tors. theta energy: -138.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1795.545701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.545701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.545701 (E_RNA)
where:
Base-Base interactions energy: -1266.708
where: short stacking energy: -508.242
Base-Backbone interact. energy: 0.181
local terms energy: -529.018018
where:
bonds (distance) C4'-P energy: -92.058
bonds (distance) P-C4' energy: -108.716
flat angles C4'-P-C4' energy: -109.140
flat angles P-C4'-P energy: -77.434
tors. eta vs tors. theta energy: -141.671
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: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1634.603996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.603996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.603996 (E_RNA)
where:
Base-Base interactions energy: -1153.207
where: short stacking energy: -479.368
Base-Backbone interact. energy: -2.639
local terms energy: -478.757727
where:
bonds (distance) C4'-P energy: -99.217
bonds (distance) P-C4' energy: -99.086
flat angles C4'-P-C4' energy: -92.919
flat angles P-C4'-P energy: -68.268
tors. eta vs tors. theta energy: -119.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1609.308024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.308024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.308024 (E_RNA)
where:
Base-Base interactions energy: -1135.966
where: short stacking energy: -475.946
Base-Backbone interact. energy: -1.296
local terms energy: -472.045598
where:
bonds (distance) C4'-P energy: -86.481
bonds (distance) P-C4' energy: -88.204
flat angles C4'-P-C4' energy: -112.339
flat angles P-C4'-P energy: -63.125
tors. eta vs tors. theta energy: -121.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1539.999981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.999981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.999981 (E_RNA)
where:
Base-Base interactions energy: -1082.663
where: short stacking energy: -424.625
Base-Backbone interact. energy: -4.562
local terms energy: -452.775150
where:
bonds (distance) C4'-P energy: -94.577
bonds (distance) P-C4' energy: -88.785
flat angles C4'-P-C4' energy: -105.181
flat angles P-C4'-P energy: -61.388
tors. eta vs tors. theta energy: -102.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1424.481229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.481229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.481229 (E_RNA)
where:
Base-Base interactions energy: -962.328
where: short stacking energy: -434.777
Base-Backbone interact. energy: -2.977
local terms energy: -459.176196
where:
bonds (distance) C4'-P energy: -75.886
bonds (distance) P-C4' energy: -91.368
flat angles C4'-P-C4' energy: -105.318
flat angles P-C4'-P energy: -59.723
tors. eta vs tors. theta energy: -126.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1343.930480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.930480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.930480 (E_RNA)
where:
Base-Base interactions energy: -917.303
where: short stacking energy: -383.647
Base-Backbone interact. energy: -2.300
local terms energy: -424.327846
where:
bonds (distance) C4'-P energy: -76.623
bonds (distance) P-C4' energy: -87.550
flat angles C4'-P-C4' energy: -100.548
flat angles P-C4'-P energy: -63.142
tors. eta vs tors. theta energy: -96.466
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: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1267.427200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.427200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.427200 (E_RNA)
where:
Base-Base interactions energy: -884.173
where: short stacking energy: -346.252
Base-Backbone interact. energy: 4.655
local terms energy: -387.909144
where:
bonds (distance) C4'-P energy: -83.482
bonds (distance) P-C4' energy: -76.789
flat angles C4'-P-C4' energy: -86.208
flat angles P-C4'-P energy: -63.152
tors. eta vs tors. theta energy: -78.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1082.553022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.553022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.553022 (E_RNA)
where:
Base-Base interactions energy: -686.994
where: short stacking energy: -274.469
Base-Backbone interact. energy: -4.634
local terms energy: -390.924609
where:
bonds (distance) C4'-P energy: -87.062
bonds (distance) P-C4' energy: -97.845
flat angles C4'-P-C4' energy: -90.456
flat angles P-C4'-P energy: -51.259
tors. eta vs tors. theta energy: -64.303
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: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -753.863968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.863968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.863968 (E_RNA)
where:
Base-Base interactions energy: -456.347
where: short stacking energy: -212.096
Base-Backbone interact. energy: 2.275
local terms energy: -299.791390
where:
bonds (distance) C4'-P energy: -82.242
bonds (distance) P-C4' energy: -71.121
flat angles C4'-P-C4' energy: -84.294
flat angles P-C4'-P energy: -38.389
tors. eta vs tors. theta energy: -23.745
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: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1879.165701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.165701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.165701 (E_RNA)
where:
Base-Base interactions energy: -1325.276
where: short stacking energy: -505.199
Base-Backbone interact. energy: -4.927
local terms energy: -548.962920
where:
bonds (distance) C4'-P energy: -115.348
bonds (distance) P-C4' energy: -108.760
flat angles C4'-P-C4' energy: -120.418
flat angles P-C4'-P energy: -65.043
tors. eta vs tors. theta energy: -139.393
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: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1798.135609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.135609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.135609 (E_RNA)
where:
Base-Base interactions energy: -1272.947
where: short stacking energy: -513.598
Base-Backbone interact. energy: -2.671
local terms energy: -522.518164
where:
bonds (distance) C4'-P energy: -88.641
bonds (distance) P-C4' energy: -96.909
flat angles C4'-P-C4' energy: -118.804
flat angles P-C4'-P energy: -80.582
tors. eta vs tors. theta energy: -137.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1658.339178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.339178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.339178 (E_RNA)
where:
Base-Base interactions energy: -1150.491
where: short stacking energy: -465.482
Base-Backbone interact. energy: -1.613
local terms energy: -506.234710
where:
bonds (distance) C4'-P energy: -87.544
bonds (distance) P-C4' energy: -107.185
flat angles C4'-P-C4' energy: -107.413
flat angles P-C4'-P energy: -82.760
tors. eta vs tors. theta energy: -121.332
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: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1613.955684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.955684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.955684 (E_RNA)
where:
Base-Base interactions energy: -1133.102
where: short stacking energy: -460.800
Base-Backbone interact. energy: -2.683
local terms energy: -478.170437
where:
bonds (distance) C4'-P energy: -92.191
bonds (distance) P-C4' energy: -87.796
flat angles C4'-P-C4' energy: -104.733
flat angles P-C4'-P energy: -76.394
tors. eta vs tors. theta energy: -117.056
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: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1516.083588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.083588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.083588 (E_RNA)
where:
Base-Base interactions energy: -1057.150
where: short stacking energy: -431.233
Base-Backbone interact. energy: 1.070
local terms energy: -460.003050
where:
bonds (distance) C4'-P energy: -84.561
bonds (distance) P-C4' energy: -95.006
flat angles C4'-P-C4' energy: -108.017
flat angles P-C4'-P energy: -68.657
tors. eta vs tors. theta energy: -103.763
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: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1427.015785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.015785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.015785 (E_RNA)
where:
Base-Base interactions energy: -993.395
where: short stacking energy: -397.847
Base-Backbone interact. energy: -2.484
local terms energy: -431.136507
where:
bonds (distance) C4'-P energy: -86.550
bonds (distance) P-C4' energy: -75.641
flat angles C4'-P-C4' energy: -99.922
flat angles P-C4'-P energy: -65.905
tors. eta vs tors. theta energy: -103.119
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: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1312.214515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.214515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.214515 (E_RNA)
where:
Base-Base interactions energy: -882.123
where: short stacking energy: -375.313
Base-Backbone interact. energy: -1.709
local terms energy: -428.382020
where:
bonds (distance) C4'-P energy: -94.899
bonds (distance) P-C4' energy: -83.374
flat angles C4'-P-C4' energy: -103.389
flat angles P-C4'-P energy: -62.992
tors. eta vs tors. theta energy: -83.728
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: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1286.366028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.366028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.366028 (E_RNA)
where:
Base-Base interactions energy: -878.603
where: short stacking energy: -362.570
Base-Backbone interact. energy: 0.082
local terms energy: -407.845648
where:
bonds (distance) C4'-P energy: -81.071
bonds (distance) P-C4' energy: -77.988
flat angles C4'-P-C4' energy: -80.038
flat angles P-C4'-P energy: -71.859
tors. eta vs tors. theta energy: -96.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1062.092781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.092781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.092781 (E_RNA)
where:
Base-Base interactions energy: -694.947
where: short stacking energy: -305.261
Base-Backbone interact. energy: 0.088
local terms energy: -367.234519
where:
bonds (distance) C4'-P energy: -80.587
bonds (distance) P-C4' energy: -80.238
flat angles C4'-P-C4' energy: -92.396
flat angles P-C4'-P energy: -51.508
tors. eta vs tors. theta energy: -62.505
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: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -733.690517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.690517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.690517 (E_RNA)
where:
Base-Base interactions energy: -413.548
where: short stacking energy: -209.273
Base-Backbone interact. energy: 1.407
local terms energy: -321.549262
where:
bonds (distance) C4'-P energy: -79.773
bonds (distance) P-C4' energy: -89.327
flat angles C4'-P-C4' energy: -76.409
flat angles P-C4'-P energy: -43.426
tors. eta vs tors. theta energy: -32.613
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: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1866.613356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.613356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.613356 (E_RNA)
where:
Base-Base interactions energy: -1341.890
where: short stacking energy: -515.129
Base-Backbone interact. energy: -1.933
local terms energy: -522.790259
where:
bonds (distance) C4'-P energy: -96.381
bonds (distance) P-C4' energy: -101.941
flat angles C4'-P-C4' energy: -116.308
flat angles P-C4'-P energy: -73.022
tors. eta vs tors. theta energy: -135.139
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: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1792.537273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.537273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.537273 (E_RNA)
where:
Base-Base interactions energy: -1265.608
where: short stacking energy: -515.325
Base-Backbone interact. energy: -2.671
local terms energy: -524.258520
where:
bonds (distance) C4'-P energy: -83.000
bonds (distance) P-C4' energy: -109.592
flat angles C4'-P-C4' energy: -115.687
flat angles P-C4'-P energy: -77.974
tors. eta vs tors. theta energy: -138.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1661.990308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.990308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.990308 (E_RNA)
where:
Base-Base interactions energy: -1150.386
where: short stacking energy: -473.489
Base-Backbone interact. energy: -2.658
local terms energy: -508.946576
where:
bonds (distance) C4'-P energy: -102.826
bonds (distance) P-C4' energy: -104.608
flat angles C4'-P-C4' energy: -107.645
flat angles P-C4'-P energy: -72.884
tors. eta vs tors. theta energy: -120.983
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: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1610.666221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.666221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.666221 (E_RNA)
where:
Base-Base interactions energy: -1138.015
where: short stacking energy: -452.240
Base-Backbone interact. energy: -0.786
local terms energy: -471.865447
where:
bonds (distance) C4'-P energy: -100.256
bonds (distance) P-C4' energy: -90.303
flat angles C4'-P-C4' energy: -106.944
flat angles P-C4'-P energy: -61.991
tors. eta vs tors. theta energy: -112.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1573.508719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.508719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.508719 (E_RNA)
where:
Base-Base interactions energy: -1111.693
where: short stacking energy: -442.637
Base-Backbone interact. energy: -2.909
local terms energy: -458.906714
where:
bonds (distance) C4'-P energy: -93.885
bonds (distance) P-C4' energy: -96.206
flat angles C4'-P-C4' energy: -103.737
flat angles P-C4'-P energy: -51.633
tors. eta vs tors. theta energy: -113.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1430.132004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.132004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.132004 (E_RNA)
where:
Base-Base interactions energy: -1002.235
where: short stacking energy: -398.282
Base-Backbone interact. energy: -0.274
local terms energy: -427.623016
where:
bonds (distance) C4'-P energy: -85.099
bonds (distance) P-C4' energy: -75.601
flat angles C4'-P-C4' energy: -105.148
flat angles P-C4'-P energy: -58.526
tors. eta vs tors. theta energy: -103.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1378.229556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.229556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.229556 (E_RNA)
where:
Base-Base interactions energy: -951.802
where: short stacking energy: -390.498
Base-Backbone interact. energy: -5.004
local terms energy: -421.423301
where:
bonds (distance) C4'-P energy: -93.585
bonds (distance) P-C4' energy: -80.870
flat angles C4'-P-C4' energy: -96.747
flat angles P-C4'-P energy: -57.470
tors. eta vs tors. theta energy: -92.752
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: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1216.067425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.067425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.067425 (E_RNA)
where:
Base-Base interactions energy: -822.654
where: short stacking energy: -314.287
Base-Backbone interact. energy: -1.839
local terms energy: -391.573949
where:
bonds (distance) C4'-P energy: -88.964
bonds (distance) P-C4' energy: -99.147
flat angles C4'-P-C4' energy: -83.738
flat angles P-C4'-P energy: -45.706
tors. eta vs tors. theta energy: -74.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1021.737378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.737378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.737378 (E_RNA)
where:
Base-Base interactions energy: -685.549
where: short stacking energy: -279.770
Base-Backbone interact. energy: -1.661
local terms energy: -334.527328
where:
bonds (distance) C4'-P energy: -66.946
bonds (distance) P-C4' energy: -90.857
flat angles C4'-P-C4' energy: -85.353
flat angles P-C4'-P energy: -45.664
tors. eta vs tors. theta energy: -45.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -713.381531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.381531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.381531 (E_RNA)
where:
Base-Base interactions energy: -416.744
where: short stacking energy: -178.340
Base-Backbone interact. energy: -4.065
local terms energy: -292.572798
where:
bonds (distance) C4'-P energy: -82.564
bonds (distance) P-C4' energy: -80.948
flat angles C4'-P-C4' energy: -77.873
flat angles P-C4'-P energy: -43.097
tors. eta vs tors. theta energy: -8.090
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: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1851.705958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.705958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.705958 (E_RNA)
where:
Base-Base interactions energy: -1312.552
where: short stacking energy: -504.705
Base-Backbone interact. energy: -1.900
local terms energy: -537.254066
where:
bonds (distance) C4'-P energy: -100.215
bonds (distance) P-C4' energy: -101.490
flat angles C4'-P-C4' energy: -119.765
flat angles P-C4'-P energy: -77.829
tors. eta vs tors. theta energy: -137.956
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: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1806.809863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.809863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.809863 (E_RNA)
where:
Base-Base interactions energy: -1272.501
where: short stacking energy: -512.712
Base-Backbone interact. energy: -2.489
local terms energy: -531.819562
where:
bonds (distance) C4'-P energy: -99.951
bonds (distance) P-C4' energy: -103.597
flat angles C4'-P-C4' energy: -112.882
flat angles P-C4'-P energy: -82.203
tors. eta vs tors. theta energy: -133.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1679.834091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.834091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.834091 (E_RNA)
where:
Base-Base interactions energy: -1132.242
where: short stacking energy: -487.172
Base-Backbone interact. energy: -1.689
local terms energy: -545.903407
where:
bonds (distance) C4'-P energy: -104.159
bonds (distance) P-C4' energy: -106.060
flat angles C4'-P-C4' energy: -112.632
flat angles P-C4'-P energy: -85.607
tors. eta vs tors. theta energy: -137.445
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: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1628.124137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.124137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.124137 (E_RNA)
where:
Base-Base interactions energy: -1133.907
where: short stacking energy: -478.033
Base-Backbone interact. energy: -2.979
local terms energy: -491.237561
where:
bonds (distance) C4'-P energy: -85.914
bonds (distance) P-C4' energy: -88.987
flat angles C4'-P-C4' energy: -113.912
flat angles P-C4'-P energy: -69.328
tors. eta vs tors. theta energy: -133.096
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: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1531.669117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.669117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.669117 (E_RNA)
where:
Base-Base interactions energy: -1088.717
where: short stacking energy: -441.589
Base-Backbone interact. energy: 3.559
local terms energy: -446.510962
where:
bonds (distance) C4'-P energy: -77.891
bonds (distance) P-C4' energy: -84.961
flat angles C4'-P-C4' energy: -109.491
flat angles P-C4'-P energy: -64.485
tors. eta vs tors. theta energy: -109.683
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: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1460.664344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.664344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.664344 (E_RNA)
where:
Base-Base interactions energy: -1015.733
where: short stacking energy: -432.268
Base-Backbone interact. energy: 5.093
local terms energy: -450.024083
where:
bonds (distance) C4'-P energy: -88.595
bonds (distance) P-C4' energy: -98.592
flat angles C4'-P-C4' energy: -85.397
flat angles P-C4'-P energy: -71.011
tors. eta vs tors. theta energy: -106.429
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: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1339.776581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.776581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.776581 (E_RNA)
where:
Base-Base interactions energy: -919.833
where: short stacking energy: -380.316
Base-Backbone interact. energy: -1.430
local terms energy: -418.512671
where:
bonds (distance) C4'-P energy: -71.994
bonds (distance) P-C4' energy: -88.143
flat angles C4'-P-C4' energy: -94.516
flat angles P-C4'-P energy: -68.422
tors. eta vs tors. theta energy: -95.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1234.162268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.162268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.162268 (E_RNA)
where:
Base-Base interactions energy: -834.873
where: short stacking energy: -347.332
Base-Backbone interact. energy: -4.661
local terms energy: -394.628499
where:
bonds (distance) C4'-P energy: -86.830
bonds (distance) P-C4' energy: -84.568
flat angles C4'-P-C4' energy: -93.824
flat angles P-C4'-P energy: -54.962
tors. eta vs tors. theta energy: -74.445
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: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1041.683741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.683741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.683741 (E_RNA)
where:
Base-Base interactions energy: -703.432
where: short stacking energy: -307.501
Base-Backbone interact. energy: 2.260
local terms energy: -340.511608
where:
bonds (distance) C4'-P energy: -80.330
bonds (distance) P-C4' energy: -78.542
flat angles C4'-P-C4' energy: -83.954
flat angles P-C4'-P energy: -42.501
tors. eta vs tors. theta energy: -55.186
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: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -775.320742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.320742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.320742 (E_RNA)
where:
Base-Base interactions energy: -476.898
where: short stacking energy: -213.505
Base-Backbone interact. energy: 1.285
local terms energy: -299.708180
where:
bonds (distance) C4'-P energy: -66.452
bonds (distance) P-C4' energy: -76.773
flat angles C4'-P-C4' energy: -80.876
flat angles P-C4'-P energy: -60.750
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: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1826.520822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.520822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.520822 (E_RNA)
where:
Base-Base interactions energy: -1289.512
where: short stacking energy: -520.835
Base-Backbone interact. energy: -2.911
local terms energy: -534.098544
where:
bonds (distance) C4'-P energy: -104.123
bonds (distance) P-C4' energy: -107.353
flat angles C4'-P-C4' energy: -114.176
flat angles P-C4'-P energy: -69.542
tors. eta vs tors. theta energy: -138.906
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: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1825.293131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.293131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.293131 (E_RNA)
where:
Base-Base interactions energy: -1282.829
where: short stacking energy: -506.496
Base-Backbone interact. energy: -3.508
local terms energy: -538.956237
where:
bonds (distance) C4'-P energy: -99.938
bonds (distance) P-C4' energy: -95.906
flat angles C4'-P-C4' energy: -117.359
flat angles P-C4'-P energy: -87.375
tors. eta vs tors. theta energy: -138.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1685.055898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.055898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.055898 (E_RNA)
where:
Base-Base interactions energy: -1167.180
where: short stacking energy: -498.875
Base-Backbone interact. energy: 0.320
local terms energy: -518.195933
where:
bonds (distance) C4'-P energy: -94.943
bonds (distance) P-C4' energy: -93.535
flat angles C4'-P-C4' energy: -122.071
flat angles P-C4'-P energy: -69.523
tors. eta vs tors. theta energy: -138.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1628.694127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.694127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.694127 (E_RNA)
where:
Base-Base interactions energy: -1125.665
where: short stacking energy: -465.467
Base-Backbone interact. energy: -1.792
local terms energy: -501.236983
where:
bonds (distance) C4'-P energy: -100.182
bonds (distance) P-C4' energy: -85.864
flat angles C4'-P-C4' energy: -109.718
flat angles P-C4'-P energy: -78.804
tors. eta vs tors. theta energy: -126.668
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: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1576.135874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.135874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.135874 (E_RNA)
where:
Base-Base interactions energy: -1114.463
where: short stacking energy: -450.363
Base-Backbone interact. energy: 0.531
local terms energy: -462.203879
where:
bonds (distance) C4'-P energy: -85.663
bonds (distance) P-C4' energy: -92.656
flat angles C4'-P-C4' energy: -98.594
flat angles P-C4'-P energy: -76.997
tors. eta vs tors. theta energy: -108.293
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: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1475.964987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.964987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.964987 (E_RNA)
where:
Base-Base interactions energy: -1008.816
where: short stacking energy: -416.693
Base-Backbone interact. energy: -1.316
local terms energy: -465.833500
where:
bonds (distance) C4'-P energy: -94.719
bonds (distance) P-C4' energy: -94.778
flat angles C4'-P-C4' energy: -107.663
flat angles P-C4'-P energy: -65.393
tors. eta vs tors. theta energy: -103.280
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: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1294.638649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.638649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.638649 (E_RNA)
where:
Base-Base interactions energy: -870.687
where: short stacking energy: -371.277
Base-Backbone interact. energy: -2.126
local terms energy: -421.825352
where:
bonds (distance) C4'-P energy: -83.509
bonds (distance) P-C4' energy: -85.918
flat angles C4'-P-C4' energy: -100.815
flat angles P-C4'-P energy: -61.786
tors. eta vs tors. theta energy: -89.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1249.676677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.676677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.676677 (E_RNA)
where:
Base-Base interactions energy: -849.096
where: short stacking energy: -357.683
Base-Backbone interact. energy: -3.598
local terms energy: -396.982515
where:
bonds (distance) C4'-P energy: -60.311
bonds (distance) P-C4' energy: -87.680
flat angles C4'-P-C4' energy: -97.642
flat angles P-C4'-P energy: -60.773
tors. eta vs tors. theta energy: -90.577
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: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1029.647151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.647151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.647151 (E_RNA)
where:
Base-Base interactions energy: -682.272
where: short stacking energy: -305.686
Base-Backbone interact. energy: 0.870
local terms energy: -348.245553
where:
bonds (distance) C4'-P energy: -71.968
bonds (distance) P-C4' energy: -80.146
flat angles C4'-P-C4' energy: -75.902
flat angles P-C4'-P energy: -65.681
tors. eta vs tors. theta energy: -54.548
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: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -730.531063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.531063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.531063 (E_RNA)
where:
Base-Base interactions energy: -417.456
where: short stacking energy: -184.943
Base-Backbone interact. energy: -0.610
local terms energy: -312.465223
where:
bonds (distance) C4'-P energy: -75.794
bonds (distance) P-C4' energy: -89.500
flat angles C4'-P-C4' energy: -94.985
flat angles P-C4'-P energy: -41.659
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1838.016942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.016942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.016942 (E_RNA)
where:
Base-Base interactions energy: -1286.028
where: short stacking energy: -524.545
Base-Backbone interact. energy: 4.753
local terms energy: -556.741505
where:
bonds (distance) C4'-P energy: -110.447
bonds (distance) P-C4' energy: -105.746
flat angles C4'-P-C4' energy: -118.685
flat angles P-C4'-P energy: -81.054
tors. eta vs tors. theta energy: -140.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1836.231137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.231137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.231137 (E_RNA)
where:
Base-Base interactions energy: -1309.810
where: short stacking energy: -515.368
Base-Backbone interact. energy: -5.304
local terms energy: -521.117435
where:
bonds (distance) C4'-P energy: -96.383
bonds (distance) P-C4' energy: -101.817
flat angles C4'-P-C4' energy: -116.919
flat angles P-C4'-P energy: -64.436
tors. eta vs tors. theta energy: -141.563
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: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1682.523281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.523281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.523281 (E_RNA)
where:
Base-Base interactions energy: -1180.254
where: short stacking energy: -503.725
Base-Backbone interact. energy: -3.429
local terms energy: -498.840512
where:
bonds (distance) C4'-P energy: -88.028
bonds (distance) P-C4' energy: -85.606
flat angles C4'-P-C4' energy: -104.907
flat angles P-C4'-P energy: -81.506
tors. eta vs tors. theta energy: -138.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1652.841104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.841104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.841104 (E_RNA)
where:
Base-Base interactions energy: -1148.941
where: short stacking energy: -459.562
Base-Backbone interact. energy: -0.326
local terms energy: -503.573814
where:
bonds (distance) C4'-P energy: -98.685
bonds (distance) P-C4' energy: -102.764
flat angles C4'-P-C4' energy: -104.925
flat angles P-C4'-P energy: -79.137
tors. eta vs tors. theta energy: -118.062
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: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1560.621686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.621686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.621686 (E_RNA)
where:
Base-Base interactions energy: -1098.964
where: short stacking energy: -437.868
Base-Backbone interact. energy: -0.158
local terms energy: -461.499975
where:
bonds (distance) C4'-P energy: -85.251
bonds (distance) P-C4' energy: -82.925
flat angles C4'-P-C4' energy: -107.548
flat angles P-C4'-P energy: -72.867
tors. eta vs tors. theta energy: -112.910
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: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1434.202604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.202604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.202604 (E_RNA)
where:
Base-Base interactions energy: -990.057
where: short stacking energy: -409.533
Base-Backbone interact. energy: 0.263
local terms energy: -444.408328
where:
bonds (distance) C4'-P energy: -81.829
bonds (distance) P-C4' energy: -101.971
flat angles C4'-P-C4' energy: -97.822
flat angles P-C4'-P energy: -62.679
tors. eta vs tors. theta energy: -100.108
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: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1299.970699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.970699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.970699 (E_RNA)
where:
Base-Base interactions energy: -890.446
where: short stacking energy: -360.718
Base-Backbone interact. energy: -1.375
local terms energy: -408.149653
where:
bonds (distance) C4'-P energy: -70.501
bonds (distance) P-C4' energy: -101.490
flat angles C4'-P-C4' energy: -92.931
flat angles P-C4'-P energy: -59.210
tors. eta vs tors. theta energy: -84.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1235.345218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.345218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.345218 (E_RNA)
where:
Base-Base interactions energy: -848.538
where: short stacking energy: -336.202
Base-Backbone interact. energy: -0.990
local terms energy: -385.817094
where:
bonds (distance) C4'-P energy: -85.850
bonds (distance) P-C4' energy: -100.524
flat angles C4'-P-C4' energy: -79.941
flat angles P-C4'-P energy: -41.547
tors. eta vs tors. theta energy: -77.956
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: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1009.520157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.520157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.520157 (E_RNA)
where:
Base-Base interactions energy: -680.954
where: short stacking energy: -291.971
Base-Backbone interact. energy: -3.316
local terms energy: -325.250531
where:
bonds (distance) C4'-P energy: -81.829
bonds (distance) P-C4' energy: -81.068
flat angles C4'-P-C4' energy: -73.920
flat angles P-C4'-P energy: -50.070
tors. eta vs tors. theta energy: -38.363
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: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -697.786256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.786256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.786256 (E_RNA)
where:
Base-Base interactions energy: -394.991
where: short stacking energy: -191.266
Base-Backbone interact. energy: 1.087
local terms energy: -303.882204
where:
bonds (distance) C4'-P energy: -74.777
bonds (distance) P-C4' energy: -83.665
flat angles C4'-P-C4' energy: -84.662
flat angles P-C4'-P energy: -49.036
tors. eta vs tors. theta energy: -11.742
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: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1856.518042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.518042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.518042 (E_RNA)
where:
Base-Base interactions energy: -1319.711
where: short stacking energy: -537.790
Base-Backbone interact. energy: -5.304
local terms energy: -531.503855
where:
bonds (distance) C4'-P energy: -95.258
bonds (distance) P-C4' energy: -100.361
flat angles C4'-P-C4' energy: -108.811
flat angles P-C4'-P energy: -83.983
tors. eta vs tors. theta energy: -143.089
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: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1791.331737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.331737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.331737 (E_RNA)
where:
Base-Base interactions energy: -1263.107
where: short stacking energy: -503.043
Base-Backbone interact. energy: -1.767
local terms energy: -526.457396
where:
bonds (distance) C4'-P energy: -101.895
bonds (distance) P-C4' energy: -92.291
flat angles C4'-P-C4' energy: -95.939
flat angles P-C4'-P energy: -89.662
tors. eta vs tors. theta energy: -146.671
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: 3, replica: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1674.259531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.259531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.259531 (E_RNA)
where:
Base-Base interactions energy: -1138.539
where: short stacking energy: -467.737
Base-Backbone interact. energy: -5.515
local terms energy: -530.205748
where:
bonds (distance) C4'-P energy: -98.418
bonds (distance) P-C4' energy: -102.316
flat angles C4'-P-C4' energy: -122.568
flat angles P-C4'-P energy: -84.101
tors. eta vs tors. theta energy: -122.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1592.323917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.323917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.323917 (E_RNA)
where:
Base-Base interactions energy: -1099.976
where: short stacking energy: -463.167
Base-Backbone interact. energy: -3.058
local terms energy: -489.290259
where:
bonds (distance) C4'-P energy: -100.055
bonds (distance) P-C4' energy: -90.922
flat angles C4'-P-C4' energy: -111.846
flat angles P-C4'-P energy: -67.347
tors. eta vs tors. theta energy: -119.120
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: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1564.166614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.166614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.166614 (E_RNA)
where:
Base-Base interactions energy: -1092.401
where: short stacking energy: -422.416
Base-Backbone interact. energy: 3.300
local terms energy: -475.065167
where:
bonds (distance) C4'-P energy: -89.125
bonds (distance) P-C4' energy: -104.642
flat angles C4'-P-C4' energy: -95.018
flat angles P-C4'-P energy: -76.499
tors. eta vs tors. theta energy: -109.780
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: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1469.068121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.068121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.068121 (E_RNA)
where:
Base-Base interactions energy: -1006.189
where: short stacking energy: -423.439
Base-Backbone interact. energy: -0.818
local terms energy: -462.061256
where:
bonds (distance) C4'-P energy: -93.787
bonds (distance) P-C4' energy: -101.005
flat angles C4'-P-C4' energy: -100.893
flat angles P-C4'-P energy: -52.205
tors. eta vs tors. theta energy: -114.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1306.954597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.954597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.954597 (E_RNA)
where:
Base-Base interactions energy: -877.796
where: short stacking energy: -395.847
Base-Backbone interact. energy: -5.383
local terms energy: -423.776018
where:
bonds (distance) C4'-P energy: -92.267
bonds (distance) P-C4' energy: -95.385
flat angles C4'-P-C4' energy: -101.521
flat angles P-C4'-P energy: -47.474
tors. eta vs tors. theta energy: -87.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1223.901356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.901356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.901356 (E_RNA)
where:
Base-Base interactions energy: -829.992
where: short stacking energy: -326.060
Base-Backbone interact. energy: 1.006
local terms energy: -394.914607
where:
bonds (distance) C4'-P energy: -90.326
bonds (distance) P-C4' energy: -99.483
flat angles C4'-P-C4' energy: -101.415
flat angles P-C4'-P energy: -37.003
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: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1077.799970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.799970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.799970 (E_RNA)
where:
Base-Base interactions energy: -702.689
where: short stacking energy: -313.672
Base-Backbone interact. energy: -0.413
local terms energy: -374.698066
where:
bonds (distance) C4'-P energy: -82.997
bonds (distance) P-C4' energy: -85.974
flat angles C4'-P-C4' energy: -80.077
flat angles P-C4'-P energy: -63.422
tors. eta vs tors. theta energy: -62.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -730.502651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.502651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.502651 (E_RNA)
where:
Base-Base interactions energy: -410.602
where: short stacking energy: -199.652
Base-Backbone interact. energy: 0.315
local terms energy: -320.215965
where:
bonds (distance) C4'-P energy: -69.563
bonds (distance) P-C4' energy: -99.748
flat angles C4'-P-C4' energy: -78.146
flat angles P-C4'-P energy: -52.406
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1875.217095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.217095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.217095 (E_RNA)
where:
Base-Base interactions energy: -1297.528
where: short stacking energy: -545.951
Base-Backbone interact. energy: -4.556
local terms energy: -573.133447
where:
bonds (distance) C4'-P energy: -101.252
bonds (distance) P-C4' energy: -115.812
flat angles C4'-P-C4' energy: -118.865
flat angles P-C4'-P energy: -92.950
tors. eta vs tors. theta energy: -144.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1818.527517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.527517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.527517 (E_RNA)
where:
Base-Base interactions energy: -1314.768
where: short stacking energy: -516.389
Base-Backbone interact. energy: -5.181
local terms energy: -498.578172
where:
bonds (distance) C4'-P energy: -98.046
bonds (distance) P-C4' energy: -90.504
flat angles C4'-P-C4' energy: -101.259
flat angles P-C4'-P energy: -66.674
tors. eta vs tors. theta energy: -142.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1671.269388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.269388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.269388 (E_RNA)
where:
Base-Base interactions energy: -1145.834
where: short stacking energy: -492.260
Base-Backbone interact. energy: -4.418
local terms energy: -521.017819
where:
bonds (distance) C4'-P energy: -91.309
bonds (distance) P-C4' energy: -108.139
flat angles C4'-P-C4' energy: -110.032
flat angles P-C4'-P energy: -77.282
tors. eta vs tors. theta energy: -134.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1598.239213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.239213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.239213 (E_RNA)
where:
Base-Base interactions energy: -1117.846
where: short stacking energy: -442.160
Base-Backbone interact. energy: -0.643
local terms energy: -479.749305
where:
bonds (distance) C4'-P energy: -86.735
bonds (distance) P-C4' energy: -108.250
flat angles C4'-P-C4' energy: -94.868
flat angles P-C4'-P energy: -67.005
tors. eta vs tors. theta energy: -122.892
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: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1551.667650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.667650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.667650 (E_RNA)
where:
Base-Base interactions energy: -1087.705
where: short stacking energy: -457.638
Base-Backbone interact. energy: -1.964
local terms energy: -461.998812
where:
bonds (distance) C4'-P energy: -87.011
bonds (distance) P-C4' energy: -91.651
flat angles C4'-P-C4' energy: -97.922
flat angles P-C4'-P energy: -68.505
tors. eta vs tors. theta energy: -116.910
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: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1441.306649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.306649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.306649 (E_RNA)
where:
Base-Base interactions energy: -1009.024
where: short stacking energy: -417.871
Base-Backbone interact. energy: -0.784
local terms energy: -431.498746
where:
bonds (distance) C4'-P energy: -66.692
bonds (distance) P-C4' energy: -88.282
flat angles C4'-P-C4' energy: -96.748
flat angles P-C4'-P energy: -67.154
tors. eta vs tors. theta energy: -112.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1303.829872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.829872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.829872 (E_RNA)
where:
Base-Base interactions energy: -898.676
where: short stacking energy: -371.274
Base-Backbone interact. energy: -1.034
local terms energy: -404.119526
where:
bonds (distance) C4'-P energy: -79.900
bonds (distance) P-C4' energy: -92.479
flat angles C4'-P-C4' energy: -95.947
flat angles P-C4'-P energy: -54.276
tors. eta vs tors. theta energy: -81.518
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: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1247.912415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.912415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.912415 (E_RNA)
where:
Base-Base interactions energy: -860.386
where: short stacking energy: -335.311
Base-Backbone interact. energy: -4.068
local terms energy: -383.458207
where:
bonds (distance) C4'-P energy: -61.443
bonds (distance) P-C4' energy: -94.364
flat angles C4'-P-C4' energy: -96.288
flat angles P-C4'-P energy: -59.781
tors. eta vs tors. theta energy: -71.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1043.593837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.593837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.593837 (E_RNA)
where:
Base-Base interactions energy: -677.811
where: short stacking energy: -294.982
Base-Backbone interact. energy: -1.344
local terms energy: -364.438911
where:
bonds (distance) C4'-P energy: -69.476
bonds (distance) P-C4' energy: -89.850
flat angles C4'-P-C4' energy: -83.754
flat angles P-C4'-P energy: -55.379
tors. eta vs tors. theta energy: -65.980
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: 61
Temperature: 1.350000
Total energy: -675.069035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.069035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.069035 (E_RNA)
where:
Base-Base interactions energy: -367.194
where: short stacking energy: -171.693
Base-Backbone interact. energy: -3.492
local terms energy: -304.382381
where:
bonds (distance) C4'-P energy: -80.417
bonds (distance) P-C4' energy: -98.640
flat angles C4'-P-C4' energy: -77.336
flat angles P-C4'-P energy: -29.639
tors. eta vs tors. theta energy: -18.350
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: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1892.123844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.123844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.123844 (E_RNA)
where:
Base-Base interactions energy: -1317.045
where: short stacking energy: -534.994
Base-Backbone interact. energy: -3.947
local terms energy: -571.131624
where:
bonds (distance) C4'-P energy: -101.381
bonds (distance) P-C4' energy: -115.142
flat angles C4'-P-C4' energy: -121.530
flat angles P-C4'-P energy: -84.130
tors. eta vs tors. theta energy: -148.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1796.476464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.476464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.476464 (E_RNA)
where:
Base-Base interactions energy: -1268.724
where: short stacking energy: -482.116
Base-Backbone interact. energy: -5.120
local terms energy: -522.632238
where:
bonds (distance) C4'-P energy: -82.757
bonds (distance) P-C4' energy: -114.173
flat angles C4'-P-C4' energy: -115.986
flat angles P-C4'-P energy: -74.729
tors. eta vs tors. theta energy: -134.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1689.633277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.633277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.633277 (E_RNA)
where:
Base-Base interactions energy: -1175.968
where: short stacking energy: -502.903
Base-Backbone interact. energy: -3.100
local terms energy: -510.564627
where:
bonds (distance) C4'-P energy: -90.448
bonds (distance) P-C4' energy: -99.446
flat angles C4'-P-C4' energy: -111.015
flat angles P-C4'-P energy: -66.504
tors. eta vs tors. theta energy: -143.152
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: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1601.176486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.176486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.176486 (E_RNA)
where:
Base-Base interactions energy: -1123.855
where: short stacking energy: -446.951
Base-Backbone interact. energy: -0.336
local terms energy: -476.985060
where:
bonds (distance) C4'-P energy: -92.532
bonds (distance) P-C4' energy: -94.560
flat angles C4'-P-C4' energy: -108.326
flat angles P-C4'-P energy: -60.825
tors. eta vs tors. theta energy: -120.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1572.716034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.716034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.716034 (E_RNA)
where:
Base-Base interactions energy: -1092.391
where: short stacking energy: -446.244
Base-Backbone interact. energy: -0.458
local terms energy: -479.867767
where:
bonds (distance) C4'-P energy: -84.979
bonds (distance) P-C4' energy: -103.210
flat angles C4'-P-C4' energy: -104.309
flat angles P-C4'-P energy: -70.965
tors. eta vs tors. theta energy: -116.405
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: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1451.161430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.161430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.161430 (E_RNA)
where:
Base-Base interactions energy: -993.789
where: short stacking energy: -421.030
Base-Backbone interact. energy: 1.365
local terms energy: -458.737343
where:
bonds (distance) C4'-P energy: -83.758
bonds (distance) P-C4' energy: -90.186
flat angles C4'-P-C4' energy: -95.373
flat angles P-C4'-P energy: -69.465
tors. eta vs tors. theta energy: -119.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1321.478193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.478193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.478193 (E_RNA)
where:
Base-Base interactions energy: -873.280
where: short stacking energy: -374.066
Base-Backbone interact. energy: 2.581
local terms energy: -450.779167
where:
bonds (distance) C4'-P energy: -92.211
bonds (distance) P-C4' energy: -107.364
flat angles C4'-P-C4' energy: -102.984
flat angles P-C4'-P energy: -57.733
tors. eta vs tors. theta energy: -90.487
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: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1309.737569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.737569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.737569 (E_RNA)
where:
Base-Base interactions energy: -888.853
where: short stacking energy: -386.562
Base-Backbone interact. energy: -1.494
local terms energy: -419.390908
where:
bonds (distance) C4'-P energy: -83.748
bonds (distance) P-C4' energy: -86.502
flat angles C4'-P-C4' energy: -82.310
flat angles P-C4'-P energy: -62.353
tors. eta vs tors. theta energy: -104.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1015.725243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.725243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.725243 (E_RNA)
where:
Base-Base interactions energy: -652.183
where: short stacking energy: -284.853
Base-Backbone interact. energy: -2.884
local terms energy: -360.659106
where:
bonds (distance) C4'-P energy: -74.425
bonds (distance) P-C4' energy: -91.367
flat angles C4'-P-C4' energy: -79.099
flat angles P-C4'-P energy: -64.324
tors. eta vs tors. theta energy: -51.444
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: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -626.368605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.368605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.368605 (E_RNA)
where:
Base-Base interactions energy: -327.588
where: short stacking energy: -175.499
Base-Backbone interact. energy: -2.655
local terms energy: -296.126041
where:
bonds (distance) C4'-P energy: -80.296
bonds (distance) P-C4' energy: -86.912
flat angles C4'-P-C4' energy: -84.110
flat angles P-C4'-P energy: -32.221
tors. eta vs tors. theta energy: -12.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1869.331735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.331735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.331735 (E_RNA)
where:
Base-Base interactions energy: -1330.116
where: short stacking energy: -517.325
Base-Backbone interact. energy: -3.312
local terms energy: -535.903924
where:
bonds (distance) C4'-P energy: -105.309
bonds (distance) P-C4' energy: -97.223
flat angles C4'-P-C4' energy: -108.034
flat angles P-C4'-P energy: -77.250
tors. eta vs tors. theta energy: -148.089
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: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1788.852618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.852618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.852618 (E_RNA)
where:
Base-Base interactions energy: -1272.748
where: short stacking energy: -496.083
Base-Backbone interact. energy: -4.398
local terms energy: -511.707015
where:
bonds (distance) C4'-P energy: -91.155
bonds (distance) P-C4' energy: -98.482
flat angles C4'-P-C4' energy: -103.617
flat angles P-C4'-P energy: -77.831
tors. eta vs tors. theta energy: -140.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1674.467351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.467351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.467351 (E_RNA)
where:
Base-Base interactions energy: -1151.438
where: short stacking energy: -465.077
Base-Backbone interact. energy: 1.344
local terms energy: -524.372965
where:
bonds (distance) C4'-P energy: -101.624
bonds (distance) P-C4' energy: -98.070
flat angles C4'-P-C4' energy: -113.109
flat angles P-C4'-P energy: -76.676
tors. eta vs tors. theta energy: -134.894
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: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1607.597488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.597488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.597488 (E_RNA)
where:
Base-Base interactions energy: -1138.898
where: short stacking energy: -447.880
Base-Backbone interact. energy: -3.120
local terms energy: -465.578774
where:
bonds (distance) C4'-P energy: -81.321
bonds (distance) P-C4' energy: -98.231
flat angles C4'-P-C4' energy: -110.669
flat angles P-C4'-P energy: -63.914
tors. eta vs tors. theta energy: -111.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1563.322729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.322729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.322729 (E_RNA)
where:
Base-Base interactions energy: -1098.576
where: short stacking energy: -438.505
Base-Backbone interact. energy: -0.443
local terms energy: -464.303683
where:
bonds (distance) C4'-P energy: -85.662
bonds (distance) P-C4' energy: -99.915
flat angles C4'-P-C4' energy: -89.437
flat angles P-C4'-P energy: -76.897
tors. eta vs tors. theta energy: -112.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1483.258290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.258290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.258290 (E_RNA)
where:
Base-Base interactions energy: -1006.849
where: short stacking energy: -419.967
Base-Backbone interact. energy: -1.925
local terms energy: -474.483646
where:
bonds (distance) C4'-P energy: -81.701
bonds (distance) P-C4' energy: -100.983
flat angles C4'-P-C4' energy: -103.591
flat angles P-C4'-P energy: -71.715
tors. eta vs tors. theta energy: -116.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1284.529924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.529924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.529924 (E_RNA)
where:
Base-Base interactions energy: -890.782
where: short stacking energy: -388.786
Base-Backbone interact. energy: 0.468
local terms energy: -394.215822
where:
bonds (distance) C4'-P energy: -94.864
bonds (distance) P-C4' energy: -72.414
flat angles C4'-P-C4' energy: -89.336
flat angles P-C4'-P energy: -55.979
tors. eta vs tors. theta energy: -81.623
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: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1314.530323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.530323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.530323 (E_RNA)
where:
Base-Base interactions energy: -891.081
where: short stacking energy: -373.463
Base-Backbone interact. energy: -3.686
local terms energy: -419.762806
where:
bonds (distance) C4'-P energy: -94.514
bonds (distance) P-C4' energy: -88.575
flat angles C4'-P-C4' energy: -96.651
flat angles P-C4'-P energy: -50.165
tors. eta vs tors. theta energy: -89.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1055.688579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.688579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.688579 (E_RNA)
where:
Base-Base interactions energy: -707.113
where: short stacking energy: -298.863
Base-Backbone interact. energy: 1.946
local terms energy: -350.521447
where:
bonds (distance) C4'-P energy: -87.848
bonds (distance) P-C4' energy: -70.542
flat angles C4'-P-C4' energy: -91.891
flat angles P-C4'-P energy: -47.971
tors. eta vs tors. theta energy: -52.269
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: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -596.874027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.874027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.874027 (E_RNA)
where:
Base-Base interactions energy: -302.025
where: short stacking energy: -166.649
Base-Backbone interact. energy: -1.022
local terms energy: -293.826180
where:
bonds (distance) C4'-P energy: -74.269
bonds (distance) P-C4' energy: -87.236
flat angles C4'-P-C4' energy: -80.881
flat angles P-C4'-P energy: -35.815
tors. eta vs tors. theta energy: -15.626
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: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1841.608282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.608282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.608282 (E_RNA)
where:
Base-Base interactions energy: -1297.503
where: short stacking energy: -510.522
Base-Backbone interact. energy: -1.625
local terms energy: -542.479841
where:
bonds (distance) C4'-P energy: -96.386
bonds (distance) P-C4' energy: -103.146
flat angles C4'-P-C4' energy: -116.186
flat angles P-C4'-P energy: -88.825
tors. eta vs tors. theta energy: -137.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1805.956506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.956506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.956506 (E_RNA)
where:
Base-Base interactions energy: -1262.635
where: short stacking energy: -502.908
Base-Backbone interact. energy: -0.353
local terms energy: -542.967763
where:
bonds (distance) C4'-P energy: -113.079
bonds (distance) P-C4' energy: -98.269
flat angles C4'-P-C4' energy: -111.978
flat angles P-C4'-P energy: -76.495
tors. eta vs tors. theta energy: -143.148
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: 64
Temperature: 1.000000
Total energy: -1659.603831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.603831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.603831 (E_RNA)
where:
Base-Base interactions energy: -1172.410
where: short stacking energy: -478.396
Base-Backbone interact. energy: -0.853
local terms energy: -486.340425
where:
bonds (distance) C4'-P energy: -90.732
bonds (distance) P-C4' energy: -90.218
flat angles C4'-P-C4' energy: -101.828
flat angles P-C4'-P energy: -82.000
tors. eta vs tors. theta energy: -121.562
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: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1585.945929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.945929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.945929 (E_RNA)
where:
Base-Base interactions energy: -1104.611
where: short stacking energy: -450.029
Base-Backbone interact. energy: -3.322
local terms energy: -478.013170
where:
bonds (distance) C4'-P energy: -92.522
bonds (distance) P-C4' energy: -93.119
flat angles C4'-P-C4' energy: -102.650
flat angles P-C4'-P energy: -67.716
tors. eta vs tors. theta energy: -122.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1555.029534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.029534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.029534 (E_RNA)
where:
Base-Base interactions energy: -1074.307
where: short stacking energy: -412.450
Base-Backbone interact. energy: -0.234
local terms energy: -480.488232
where:
bonds (distance) C4'-P energy: -100.554
bonds (distance) P-C4' energy: -98.748
flat angles C4'-P-C4' energy: -98.470
flat angles P-C4'-P energy: -73.284
tors. eta vs tors. theta energy: -109.432
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: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1461.748990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.748990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.748990 (E_RNA)
where:
Base-Base interactions energy: -1004.211
where: short stacking energy: -419.778
Base-Backbone interact. energy: 2.341
local terms energy: -459.878673
where:
bonds (distance) C4'-P energy: -105.094
bonds (distance) P-C4' energy: -84.788
flat angles C4'-P-C4' energy: -100.324
flat angles P-C4'-P energy: -57.650
tors. eta vs tors. theta energy: -112.022
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: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1316.985722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.985722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.985722 (E_RNA)
where:
Base-Base interactions energy: -891.388
where: short stacking energy: -371.348
Base-Backbone interact. energy: 3.718
local terms energy: -429.315879
where:
bonds (distance) C4'-P energy: -80.578
bonds (distance) P-C4' energy: -97.378
flat angles C4'-P-C4' energy: -82.562
flat angles P-C4'-P energy: -75.330
tors. eta vs tors. theta energy: -93.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1181.301864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.301864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.301864 (E_RNA)
where:
Base-Base interactions energy: -808.589
where: short stacking energy: -351.173
Base-Backbone interact. energy: 0.294
local terms energy: -373.006944
where:
bonds (distance) C4'-P energy: -70.679
bonds (distance) P-C4' energy: -81.351
flat angles C4'-P-C4' energy: -91.474
flat angles P-C4'-P energy: -65.256
tors. eta vs tors. theta energy: -64.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1048.415371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.415371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.415371 (E_RNA)
where:
Base-Base interactions energy: -686.185
where: short stacking energy: -297.774
Base-Backbone interact. energy: -2.351
local terms energy: -359.878801
where:
bonds (distance) C4'-P energy: -76.479
bonds (distance) P-C4' energy: -89.002
flat angles C4'-P-C4' energy: -79.320
flat angles P-C4'-P energy: -53.989
tors. eta vs tors. theta energy: -61.090
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: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -636.853609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.853609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.853609 (E_RNA)
where:
Base-Base interactions energy: -335.210
where: short stacking energy: -196.193
Base-Backbone interact. energy: -0.846
local terms energy: -300.797814
where:
bonds (distance) C4'-P energy: -84.539
bonds (distance) P-C4' energy: -82.180
flat angles C4'-P-C4' energy: -65.288
flat angles P-C4'-P energy: -51.012
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1817.349357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.349357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.349357 (E_RNA)
where:
Base-Base interactions energy: -1294.235
where: short stacking energy: -519.419
Base-Backbone interact. energy: -6.849
local terms energy: -516.265832
where:
bonds (distance) C4'-P energy: -98.650
bonds (distance) P-C4' energy: -101.075
flat angles C4'-P-C4' energy: -107.227
flat angles P-C4'-P energy: -69.067
tors. eta vs tors. theta energy: -140.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1786.850233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.850233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.850233 (E_RNA)
where:
Base-Base interactions energy: -1279.385
where: short stacking energy: -497.826
Base-Backbone interact. energy: -1.418
local terms energy: -506.046781
where:
bonds (distance) C4'-P energy: -91.626
bonds (distance) P-C4' energy: -97.586
flat angles C4'-P-C4' energy: -108.284
flat angles P-C4'-P energy: -77.187
tors. eta vs tors. theta energy: -131.364
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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1740.803603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.803603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.803603 (E_RNA)
where:
Base-Base interactions energy: -1221.750
where: short stacking energy: -500.081
Base-Backbone interact. energy: -1.907
local terms energy: -517.146715
where:
bonds (distance) C4'-P energy: -97.788
bonds (distance) P-C4' energy: -97.598
flat angles C4'-P-C4' energy: -117.681
flat angles P-C4'-P energy: -72.870
tors. eta vs tors. theta energy: -131.210
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: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1606.800270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.800270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.800270 (E_RNA)
where:
Base-Base interactions energy: -1124.662
where: short stacking energy: -464.738
Base-Backbone interact. energy: 1.819
local terms energy: -483.956721
where:
bonds (distance) C4'-P energy: -91.216
bonds (distance) P-C4' energy: -84.747
flat angles C4'-P-C4' energy: -106.912
flat angles P-C4'-P energy: -72.492
tors. eta vs tors. theta energy: -128.589
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: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1587.432966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.432966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.432966 (E_RNA)
where:
Base-Base interactions energy: -1097.821
where: short stacking energy: -456.597
Base-Backbone interact. energy: 1.129
local terms energy: -490.741422
where:
bonds (distance) C4'-P energy: -90.145
bonds (distance) P-C4' energy: -91.362
flat angles C4'-P-C4' energy: -108.631
flat angles P-C4'-P energy: -79.079
tors. eta vs tors. theta energy: -121.523
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: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1484.335775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.335775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.335775 (E_RNA)
where:
Base-Base interactions energy: -1029.426
where: short stacking energy: -433.485
Base-Backbone interact. energy: 0.300
local terms energy: -455.210225
where:
bonds (distance) C4'-P energy: -87.813
bonds (distance) P-C4' energy: -85.425
flat angles C4'-P-C4' energy: -102.487
flat angles P-C4'-P energy: -63.517
tors. eta vs tors. theta energy: -115.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1354.622408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.622408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.622408 (E_RNA)
where:
Base-Base interactions energy: -928.840
where: short stacking energy: -406.692
Base-Backbone interact. energy: -2.332
local terms energy: -423.451065
where:
bonds (distance) C4'-P energy: -97.228
bonds (distance) P-C4' energy: -89.318
flat angles C4'-P-C4' energy: -83.824
flat angles P-C4'-P energy: -56.673
tors. eta vs tors. theta energy: -96.408
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: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1174.456556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.456556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.456556 (E_RNA)
where:
Base-Base interactions energy: -786.953
where: short stacking energy: -325.528
Base-Backbone interact. energy: 2.706
local terms energy: -390.209464
where:
bonds (distance) C4'-P energy: -73.846
bonds (distance) P-C4' energy: -82.240
flat angles C4'-P-C4' energy: -107.089
flat angles P-C4'-P energy: -58.436
tors. eta vs tors. theta energy: -68.599
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: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1020.261723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.261723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.261723 (E_RNA)
where:
Base-Base interactions energy: -657.221
where: short stacking energy: -265.334
Base-Backbone interact. energy: -2.165
local terms energy: -360.875615
where:
bonds (distance) C4'-P energy: -81.321
bonds (distance) P-C4' energy: -85.485
flat angles C4'-P-C4' energy: -81.915
flat angles P-C4'-P energy: -62.567
tors. eta vs tors. theta energy: -49.588
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: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -624.411308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.411308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.411308 (E_RNA)
where:
Base-Base interactions energy: -315.907
where: short stacking energy: -177.250
Base-Backbone interact. energy: 4.300
local terms energy: -312.804818
where:
bonds (distance) C4'-P energy: -89.527
bonds (distance) P-C4' energy: -86.256
flat angles C4'-P-C4' energy: -69.099
flat angles P-C4'-P energy: -62.035
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1873.528854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.528854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.528854 (E_RNA)
where:
Base-Base interactions energy: -1308.720
where: short stacking energy: -528.195
Base-Backbone interact. energy: -5.394
local terms energy: -559.415002
where:
bonds (distance) C4'-P energy: -89.192
bonds (distance) P-C4' energy: -109.071
flat angles C4'-P-C4' energy: -127.155
flat angles P-C4'-P energy: -85.593
tors. eta vs tors. theta energy: -148.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1797.797206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.797206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.797206 (E_RNA)
where:
Base-Base interactions energy: -1276.823
where: short stacking energy: -499.397
Base-Backbone interact. energy: -2.755
local terms energy: -518.219164
where:
bonds (distance) C4'-P energy: -106.894
bonds (distance) P-C4' energy: -88.896
flat angles C4'-P-C4' energy: -104.167
flat angles P-C4'-P energy: -79.122
tors. eta vs tors. theta energy: -139.140
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: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1712.394906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.394906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.394906 (E_RNA)
where:
Base-Base interactions energy: -1205.112
where: short stacking energy: -479.402
Base-Backbone interact. energy: -1.158
local terms energy: -506.125603
where:
bonds (distance) C4'-P energy: -90.869
bonds (distance) P-C4' energy: -106.363
flat angles C4'-P-C4' energy: -115.978
flat angles P-C4'-P energy: -60.416
tors. eta vs tors. theta energy: -132.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1600.718854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.718854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.718854 (E_RNA)
where:
Base-Base interactions energy: -1136.855
where: short stacking energy: -455.745
Base-Backbone interact. energy: 1.646
local terms energy: -465.509405
where:
bonds (distance) C4'-P energy: -83.975
bonds (distance) P-C4' energy: -89.571
flat angles C4'-P-C4' energy: -99.817
flat angles P-C4'-P energy: -64.839
tors. eta vs tors. theta energy: -127.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1567.089715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.089715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.089715 (E_RNA)
where:
Base-Base interactions energy: -1100.238
where: short stacking energy: -422.110
Base-Backbone interact. energy: -4.596
local terms energy: -462.255694
where:
bonds (distance) C4'-P energy: -96.353
bonds (distance) P-C4' energy: -90.607
flat angles C4'-P-C4' energy: -95.415
flat angles P-C4'-P energy: -66.026
tors. eta vs tors. theta energy: -113.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1460.637368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.637368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.637368 (E_RNA)
where:
Base-Base interactions energy: -1021.856
where: short stacking energy: -406.567
Base-Backbone interact. energy: -2.449
local terms energy: -436.332253
where:
bonds (distance) C4'-P energy: -70.289
bonds (distance) P-C4' energy: -94.456
flat angles C4'-P-C4' energy: -106.672
flat angles P-C4'-P energy: -60.019
tors. eta vs tors. theta energy: -104.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1323.015793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.015793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.015793 (E_RNA)
where:
Base-Base interactions energy: -901.585
where: short stacking energy: -378.749
Base-Backbone interact. energy: 3.624
local terms energy: -425.054286
where:
bonds (distance) C4'-P energy: -86.929
bonds (distance) P-C4' energy: -89.098
flat angles C4'-P-C4' energy: -98.413
flat angles P-C4'-P energy: -61.689
tors. eta vs tors. theta energy: -88.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1244.028155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.028155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.028155 (E_RNA)
where:
Base-Base interactions energy: -863.245
where: short stacking energy: -348.248
Base-Backbone interact. energy: -2.372
local terms energy: -378.410973
where:
bonds (distance) C4'-P energy: -70.921
bonds (distance) P-C4' energy: -74.985
flat angles C4'-P-C4' energy: -92.410
flat angles P-C4'-P energy: -59.081
tors. eta vs tors. theta energy: -81.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1002.410353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.410353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.410353 (E_RNA)
where:
Base-Base interactions energy: -672.552
where: short stacking energy: -276.796
Base-Backbone interact. energy: 5.887
local terms energy: -335.745410
where:
bonds (distance) C4'-P energy: -82.112
bonds (distance) P-C4' energy: -89.792
flat angles C4'-P-C4' energy: -69.143
flat angles P-C4'-P energy: -53.941
tors. eta vs tors. theta energy: -40.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -619.669181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.669181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.669181 (E_RNA)
where:
Base-Base interactions energy: -354.916
where: short stacking energy: -164.707
Base-Backbone interact. energy: 6.382
local terms energy: -271.135011
where:
bonds (distance) C4'-P energy: -89.845
bonds (distance) P-C4' energy: -79.803
flat angles C4'-P-C4' energy: -71.840
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: 8.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1862.332875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.332875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.332875 (E_RNA)
where:
Base-Base interactions energy: -1321.465
where: short stacking energy: -544.692
Base-Backbone interact. energy: -2.204
local terms energy: -538.663463
where:
bonds (distance) C4'-P energy: -100.583
bonds (distance) P-C4' energy: -103.629
flat angles C4'-P-C4' energy: -120.154
flat angles P-C4'-P energy: -66.497
tors. eta vs tors. theta energy: -147.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1801.630833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.630833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.630833 (E_RNA)
where:
Base-Base interactions energy: -1286.172
where: short stacking energy: -517.970
Base-Backbone interact. energy: -4.218
local terms energy: -511.241310
where:
bonds (distance) C4'-P energy: -88.895
bonds (distance) P-C4' energy: -90.142
flat angles C4'-P-C4' energy: -118.106
flat angles P-C4'-P energy: -69.894
tors. eta vs tors. theta energy: -144.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1728.981196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.981196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.981196 (E_RNA)
where:
Base-Base interactions energy: -1220.315
where: short stacking energy: -492.499
Base-Backbone interact. energy: -1.605
local terms energy: -507.060705
where:
bonds (distance) C4'-P energy: -85.689
bonds (distance) P-C4' energy: -99.919
flat angles C4'-P-C4' energy: -108.149
flat angles P-C4'-P energy: -75.743
tors. eta vs tors. theta energy: -137.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1627.057140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.057140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.057140 (E_RNA)
where:
Base-Base interactions energy: -1142.852
where: short stacking energy: -452.204
Base-Backbone interact. energy: -3.384
local terms energy: -480.821458
where:
bonds (distance) C4'-P energy: -95.290
bonds (distance) P-C4' energy: -93.375
flat angles C4'-P-C4' energy: -109.907
flat angles P-C4'-P energy: -58.733
tors. eta vs tors. theta energy: -123.516
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: 67
Temperature: 1.100000
Total energy: -1537.946289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.946289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.946289 (E_RNA)
where:
Base-Base interactions energy: -1097.628
where: short stacking energy: -437.263
Base-Backbone interact. energy: 1.801
local terms energy: -442.119262
where:
bonds (distance) C4'-P energy: -88.205
bonds (distance) P-C4' energy: -77.228
flat angles C4'-P-C4' energy: -100.377
flat angles P-C4'-P energy: -62.039
tors. eta vs tors. theta energy: -114.271
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: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1465.557584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.557584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.557584 (E_RNA)
where:
Base-Base interactions energy: -1010.474
where: short stacking energy: -412.390
Base-Backbone interact. energy: -0.432
local terms energy: -454.651419
where:
bonds (distance) C4'-P energy: -81.238
bonds (distance) P-C4' energy: -97.729
flat angles C4'-P-C4' energy: -98.159
flat angles P-C4'-P energy: -78.686
tors. eta vs tors. theta energy: -98.840
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: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1325.389309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.389309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.389309 (E_RNA)
where:
Base-Base interactions energy: -915.316
where: short stacking energy: -401.213
Base-Backbone interact. energy: -3.306
local terms energy: -406.767328
where:
bonds (distance) C4'-P energy: -78.846
bonds (distance) P-C4' energy: -86.442
flat angles C4'-P-C4' energy: -95.193
flat angles P-C4'-P energy: -54.789
tors. eta vs tors. theta energy: -91.498
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: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1226.819807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.819807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.819807 (E_RNA)
where:
Base-Base interactions energy: -834.566
where: short stacking energy: -325.941
Base-Backbone interact. energy: -0.428
local terms energy: -391.825623
where:
bonds (distance) C4'-P energy: -83.669
bonds (distance) P-C4' energy: -79.056
flat angles C4'-P-C4' energy: -99.916
flat angles P-C4'-P energy: -59.157
tors. eta vs tors. theta energy: -70.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1011.179781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.179781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.179781 (E_RNA)
where:
Base-Base interactions energy: -659.045
where: short stacking energy: -292.596
Base-Backbone interact. energy: -0.281
local terms energy: -351.853361
where:
bonds (distance) C4'-P energy: -78.073
bonds (distance) P-C4' energy: -88.453
flat angles C4'-P-C4' energy: -90.743
flat angles P-C4'-P energy: -49.607
tors. eta vs tors. theta energy: -44.978
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: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -638.604277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.604277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.604277 (E_RNA)
where:
Base-Base interactions energy: -364.772
where: short stacking energy: -180.580
Base-Backbone interact. energy: -0.704
local terms energy: -273.127755
where:
bonds (distance) C4'-P energy: -79.388
bonds (distance) P-C4' energy: -91.033
flat angles C4'-P-C4' energy: -73.348
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -2.765
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: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1842.261886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.261886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.261886 (E_RNA)
where:
Base-Base interactions energy: -1295.342
where: short stacking energy: -529.503
Base-Backbone interact. energy: 0.357
local terms energy: -547.276723
where:
bonds (distance) C4'-P energy: -110.445
bonds (distance) P-C4' energy: -99.891
flat angles C4'-P-C4' energy: -112.329
flat angles P-C4'-P energy: -79.402
tors. eta vs tors. theta energy: -145.210
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: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1803.656771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.656771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.656771 (E_RNA)
where:
Base-Base interactions energy: -1287.471
where: short stacking energy: -507.723
Base-Backbone interact. energy: 1.955
local terms energy: -518.140742
where:
bonds (distance) C4'-P energy: -96.864
bonds (distance) P-C4' energy: -93.264
flat angles C4'-P-C4' energy: -118.563
flat angles P-C4'-P energy: -75.690
tors. eta vs tors. theta energy: -133.760
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: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1707.467781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.467781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.467781 (E_RNA)
where:
Base-Base interactions energy: -1211.008
where: short stacking energy: -470.591
Base-Backbone interact. energy: -1.674
local terms energy: -494.786103
where:
bonds (distance) C4'-P energy: -95.815
bonds (distance) P-C4' energy: -94.310
flat angles C4'-P-C4' energy: -107.830
flat angles P-C4'-P energy: -69.316
tors. eta vs tors. theta energy: -127.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1663.123288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.123288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.123288 (E_RNA)
where:
Base-Base interactions energy: -1168.429
where: short stacking energy: -484.744
Base-Backbone interact. energy: 1.507
local terms energy: -496.200532
where:
bonds (distance) C4'-P energy: -91.533
bonds (distance) P-C4' energy: -91.053
flat angles C4'-P-C4' energy: -105.552
flat angles P-C4'-P energy: -66.908
tors. eta vs tors. theta energy: -141.155
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: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1539.624442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.624442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.624442 (E_RNA)
where:
Base-Base interactions energy: -1072.924
where: short stacking energy: -459.205
Base-Backbone interact. energy: 2.346
local terms energy: -469.046369
where:
bonds (distance) C4'-P energy: -91.729
bonds (distance) P-C4' energy: -87.081
flat angles C4'-P-C4' energy: -106.032
flat angles P-C4'-P energy: -56.227
tors. eta vs tors. theta energy: -127.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1525.108665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.108665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.108665 (E_RNA)
where:
Base-Base interactions energy: -1074.428
where: short stacking energy: -437.791
Base-Backbone interact. energy: 6.486
local terms energy: -457.166860
where:
bonds (distance) C4'-P energy: -70.697
bonds (distance) P-C4' energy: -98.518
flat angles C4'-P-C4' energy: -98.804
flat angles P-C4'-P energy: -68.238
tors. eta vs tors. theta energy: -120.910
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: 68
Temperature: 1.200000
Total energy: -1269.287302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.287302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.287302 (E_RNA)
where:
Base-Base interactions energy: -863.354
where: short stacking energy: -373.409
Base-Backbone interact. energy: -0.919
local terms energy: -405.014822
where:
bonds (distance) C4'-P energy: -83.673
bonds (distance) P-C4' energy: -92.484
flat angles C4'-P-C4' energy: -99.955
flat angles P-C4'-P energy: -53.449
tors. eta vs tors. theta energy: -75.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1218.790543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.790543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.790543 (E_RNA)
where:
Base-Base interactions energy: -839.187
where: short stacking energy: -344.628
Base-Backbone interact. energy: 2.125
local terms energy: -381.729030
where:
bonds (distance) C4'-P energy: -67.823
bonds (distance) P-C4' energy: -95.457
flat angles C4'-P-C4' energy: -82.210
flat angles P-C4'-P energy: -63.256
tors. eta vs tors. theta energy: -72.984
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: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1047.758177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.758177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.758177 (E_RNA)
where:
Base-Base interactions energy: -682.753
where: short stacking energy: -300.184
Base-Backbone interact. energy: -0.638
local terms energy: -364.366923
where:
bonds (distance) C4'-P energy: -89.788
bonds (distance) P-C4' energy: -75.669
flat angles C4'-P-C4' energy: -81.313
flat angles P-C4'-P energy: -53.623
tors. eta vs tors. theta energy: -63.975
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: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -623.459243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.459243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.459243 (E_RNA)
where:
Base-Base interactions energy: -312.322
where: short stacking energy: -168.370
Base-Backbone interact. energy: -1.372
local terms energy: -309.764961
where:
bonds (distance) C4'-P energy: -73.306
bonds (distance) P-C4' energy: -90.897
flat angles C4'-P-C4' energy: -85.639
flat angles P-C4'-P energy: -52.196
tors. eta vs tors. theta energy: -7.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1841.653376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.653376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.653376 (E_RNA)
where:
Base-Base interactions energy: -1293.718
where: short stacking energy: -534.258
Base-Backbone interact. energy: 0.960
local terms energy: -548.895995
where:
bonds (distance) C4'-P energy: -97.010
bonds (distance) P-C4' energy: -107.501
flat angles C4'-P-C4' energy: -116.074
flat angles P-C4'-P energy: -76.762
tors. eta vs tors. theta energy: -151.549
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: 69
Temperature: 0.950000
Total energy: -1790.067961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.067961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.067961 (E_RNA)
where:
Base-Base interactions energy: -1267.407
where: short stacking energy: -505.452
Base-Backbone interact. energy: -4.941
local terms energy: -517.719261
where:
bonds (distance) C4'-P energy: -100.614
bonds (distance) P-C4' energy: -93.879
flat angles C4'-P-C4' energy: -116.410
flat angles P-C4'-P energy: -62.365
tors. eta vs tors. theta energy: -144.451
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: 69
Temperature: 1.000000
Total energy: -1736.059656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.059656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.059656 (E_RNA)
where:
Base-Base interactions energy: -1230.641
where: short stacking energy: -501.186
Base-Backbone interact. energy: -1.871
local terms energy: -503.547765
where:
bonds (distance) C4'-P energy: -90.117
bonds (distance) P-C4' energy: -108.859
flat angles C4'-P-C4' energy: -108.789
flat angles P-C4'-P energy: -62.077
tors. eta vs tors. theta energy: -133.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1577.675651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.675651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.675651 (E_RNA)
where:
Base-Base interactions energy: -1086.109
where: short stacking energy: -473.657
Base-Backbone interact. energy: -1.988
local terms energy: -489.578196
where:
bonds (distance) C4'-P energy: -89.188
bonds (distance) P-C4' energy: -99.213
flat angles C4'-P-C4' energy: -110.299
flat angles P-C4'-P energy: -64.790
tors. eta vs tors. theta energy: -126.089
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: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1582.601736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.601736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.601736 (E_RNA)
where:
Base-Base interactions energy: -1114.915
where: short stacking energy: -467.586
Base-Backbone interact. energy: -2.793
local terms energy: -464.894152
where:
bonds (distance) C4'-P energy: -88.084
bonds (distance) P-C4' energy: -79.604
flat angles C4'-P-C4' energy: -111.087
flat angles P-C4'-P energy: -66.111
tors. eta vs tors. theta energy: -120.008
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: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1487.389984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.389984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.389984 (E_RNA)
where:
Base-Base interactions energy: -1038.963
where: short stacking energy: -424.279
Base-Backbone interact. energy: -3.520
local terms energy: -444.906699
where:
bonds (distance) C4'-P energy: -91.856
bonds (distance) P-C4' energy: -83.010
flat angles C4'-P-C4' energy: -91.593
flat angles P-C4'-P energy: -64.707
tors. eta vs tors. theta energy: -113.742
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: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1309.795954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.795954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.795954 (E_RNA)
where:
Base-Base interactions energy: -908.021
where: short stacking energy: -370.740
Base-Backbone interact. energy: -3.157
local terms energy: -398.617664
where:
bonds (distance) C4'-P energy: -80.785
bonds (distance) P-C4' energy: -80.113
flat angles C4'-P-C4' energy: -87.051
flat angles P-C4'-P energy: -55.532
tors. eta vs tors. theta energy: -95.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1229.939428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.939428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.939428 (E_RNA)
where:
Base-Base interactions energy: -839.788
where: short stacking energy: -343.131
Base-Backbone interact. energy: -0.150
local terms energy: -390.001290
where:
bonds (distance) C4'-P energy: -75.209
bonds (distance) P-C4' energy: -90.463
flat angles C4'-P-C4' energy: -92.448
flat angles P-C4'-P energy: -54.990
tors. eta vs tors. theta energy: -76.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1082.252953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.252953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.252953 (E_RNA)
where:
Base-Base interactions energy: -705.863
where: short stacking energy: -312.176
Base-Backbone interact. energy: 1.218
local terms energy: -377.608145
where:
bonds (distance) C4'-P energy: -95.082
bonds (distance) P-C4' energy: -72.045
flat angles C4'-P-C4' energy: -82.826
flat angles P-C4'-P energy: -54.817
tors. eta vs tors. theta energy: -72.838
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: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -661.604217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.604217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.604217 (E_RNA)
where:
Base-Base interactions energy: -349.624
where: short stacking energy: -181.627
Base-Backbone interact. energy: -1.590
local terms energy: -310.389643
where:
bonds (distance) C4'-P energy: -70.256
bonds (distance) P-C4' energy: -95.046
flat angles C4'-P-C4' energy: -78.306
flat angles P-C4'-P energy: -54.383
tors. eta vs tors. theta energy: -12.397
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: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1831.881505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.881505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.881505 (E_RNA)
where:
Base-Base interactions energy: -1292.383
where: short stacking energy: -536.361
Base-Backbone interact. energy: -3.036
local terms energy: -536.462446
where:
bonds (distance) C4'-P energy: -83.060
bonds (distance) P-C4' energy: -111.526
flat angles C4'-P-C4' energy: -112.616
flat angles P-C4'-P energy: -80.769
tors. eta vs tors. theta energy: -148.491
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: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1773.245161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.245161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.245161 (E_RNA)
where:
Base-Base interactions energy: -1256.992
where: short stacking energy: -500.595
Base-Backbone interact. energy: 1.227
local terms energy: -517.480808
where:
bonds (distance) C4'-P energy: -88.465
bonds (distance) P-C4' energy: -98.472
flat angles C4'-P-C4' energy: -115.413
flat angles P-C4'-P energy: -74.563
tors. eta vs tors. theta energy: -140.568
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: 70
Temperature: 1.000000
Total energy: -1743.341293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.341293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.341293 (E_RNA)
where:
Base-Base interactions energy: -1229.834
where: short stacking energy: -480.470
Base-Backbone interact. energy: 0.691
local terms energy: -514.197773
where:
bonds (distance) C4'-P energy: -88.774
bonds (distance) P-C4' energy: -98.424
flat angles C4'-P-C4' energy: -112.588
flat angles P-C4'-P energy: -83.195
tors. eta vs tors. theta energy: -131.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1611.158408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.158408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.158408 (E_RNA)
where:
Base-Base interactions energy: -1117.783
where: short stacking energy: -466.943
Base-Backbone interact. energy: 2.981
local terms energy: -496.356244
where:
bonds (distance) C4'-P energy: -81.766
bonds (distance) P-C4' energy: -102.618
flat angles C4'-P-C4' energy: -111.623
flat angles P-C4'-P energy: -76.041
tors. eta vs tors. theta energy: -124.308
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: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1553.225459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.225459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.225459 (E_RNA)
where:
Base-Base interactions energy: -1053.228
where: short stacking energy: -424.823
Base-Backbone interact. energy: -3.263
local terms energy: -496.734717
where:
bonds (distance) C4'-P energy: -97.625
bonds (distance) P-C4' energy: -98.208
flat angles C4'-P-C4' energy: -110.632
flat angles P-C4'-P energy: -75.735
tors. eta vs tors. theta energy: -114.533
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: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1466.941270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.941270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.941270 (E_RNA)
where:
Base-Base interactions energy: -1011.360
where: short stacking energy: -405.806
Base-Backbone interact. energy: -0.842
local terms energy: -454.739026
where:
bonds (distance) C4'-P energy: -72.703
bonds (distance) P-C4' energy: -102.747
flat angles C4'-P-C4' energy: -106.288
flat angles P-C4'-P energy: -62.623
tors. eta vs tors. theta energy: -110.379
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: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1303.670049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.670049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.670049 (E_RNA)
where:
Base-Base interactions energy: -870.035
where: short stacking energy: -382.811
Base-Backbone interact. energy: -0.881
local terms energy: -432.754359
where:
bonds (distance) C4'-P energy: -90.920
bonds (distance) P-C4' energy: -79.161
flat angles C4'-P-C4' energy: -110.037
flat angles P-C4'-P energy: -53.650
tors. eta vs tors. theta energy: -98.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1265.129247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.129247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.129247 (E_RNA)
where:
Base-Base interactions energy: -871.472
where: short stacking energy: -353.534
Base-Backbone interact. energy: 0.327
local terms energy: -393.984326
where:
bonds (distance) C4'-P energy: -85.081
bonds (distance) P-C4' energy: -84.053
flat angles C4'-P-C4' energy: -90.848
flat angles P-C4'-P energy: -60.143
tors. eta vs tors. theta energy: -73.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1063.585089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.585089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.585089 (E_RNA)
where:
Base-Base interactions energy: -694.743
where: short stacking energy: -297.761
Base-Backbone interact. energy: 0.094
local terms energy: -368.935604
where:
bonds (distance) C4'-P energy: -78.097
bonds (distance) P-C4' energy: -97.935
flat angles C4'-P-C4' energy: -80.601
flat angles P-C4'-P energy: -52.293
tors. eta vs tors. theta energy: -60.010
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: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -750.535912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.535912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.535912 (E_RNA)
where:
Base-Base interactions energy: -430.484
where: short stacking energy: -210.155
Base-Backbone interact. energy: -2.469
local terms energy: -317.583252
where:
bonds (distance) C4'-P energy: -84.021
bonds (distance) P-C4' energy: -85.670
flat angles C4'-P-C4' energy: -80.770
flat angles P-C4'-P energy: -47.754
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1854.758422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.758422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.758422 (E_RNA)
where:
Base-Base interactions energy: -1292.048
where: short stacking energy: -527.632
Base-Backbone interact. energy: -4.323
local terms energy: -558.387069
where:
bonds (distance) C4'-P energy: -103.722
bonds (distance) P-C4' energy: -100.033
flat angles C4'-P-C4' energy: -117.081
flat angles P-C4'-P energy: -87.603
tors. eta vs tors. theta energy: -149.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1753.435563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.435563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.435563 (E_RNA)
where:
Base-Base interactions energy: -1239.461
where: short stacking energy: -482.089
Base-Backbone interact. energy: 0.439
local terms energy: -514.414138
where:
bonds (distance) C4'-P energy: -100.211
bonds (distance) P-C4' energy: -103.511
flat angles C4'-P-C4' energy: -109.158
flat angles P-C4'-P energy: -72.702
tors. eta vs tors. theta energy: -128.831
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: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1703.283953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.283953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.283953 (E_RNA)
where:
Base-Base interactions energy: -1193.587
where: short stacking energy: -466.303
Base-Backbone interact. energy: -7.363
local terms energy: -502.334083
where:
bonds (distance) C4'-P energy: -98.865
bonds (distance) P-C4' energy: -99.571
flat angles C4'-P-C4' energy: -107.106
flat angles P-C4'-P energy: -68.942
tors. eta vs tors. theta energy: -127.850
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: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1598.372430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.372430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.372430 (E_RNA)
where:
Base-Base interactions energy: -1111.185
where: short stacking energy: -465.117
Base-Backbone interact. energy: 5.868
local terms energy: -493.054785
where:
bonds (distance) C4'-P energy: -84.085
bonds (distance) P-C4' energy: -106.038
flat angles C4'-P-C4' energy: -106.584
flat angles P-C4'-P energy: -68.852
tors. eta vs tors. theta energy: -127.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1543.133621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.133621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.133621 (E_RNA)
where:
Base-Base interactions energy: -1091.426
where: short stacking energy: -447.517
Base-Backbone interact. energy: -2.554
local terms energy: -449.152834
where:
bonds (distance) C4'-P energy: -91.614
bonds (distance) P-C4' energy: -86.708
flat angles C4'-P-C4' energy: -92.595
flat angles P-C4'-P energy: -67.000
tors. eta vs tors. theta energy: -111.235
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: 6, replica: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1434.918476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.918476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.918476 (E_RNA)
where:
Base-Base interactions energy: -975.191
where: short stacking energy: -401.956
Base-Backbone interact. energy: 2.414
local terms energy: -462.141084
where:
bonds (distance) C4'-P energy: -77.484
bonds (distance) P-C4' energy: -103.726
flat angles C4'-P-C4' energy: -99.358
flat angles P-C4'-P energy: -78.514
tors. eta vs tors. theta energy: -103.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1302.658738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.658738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.658738 (E_RNA)
where:
Base-Base interactions energy: -883.113
where: short stacking energy: -366.552
Base-Backbone interact. energy: 0.732
local terms energy: -420.277929
where:
bonds (distance) C4'-P energy: -91.730
bonds (distance) P-C4' energy: -102.384
flat angles C4'-P-C4' energy: -83.925
flat angles P-C4'-P energy: -55.007
tors. eta vs tors. theta energy: -87.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1279.205910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.205910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.205910 (E_RNA)
where:
Base-Base interactions energy: -874.719
where: short stacking energy: -357.779
Base-Backbone interact. energy: 1.495
local terms energy: -405.982052
where:
bonds (distance) C4'-P energy: -94.910
bonds (distance) P-C4' energy: -77.146
flat angles C4'-P-C4' energy: -89.364
flat angles P-C4'-P energy: -59.274
tors. eta vs tors. theta energy: -85.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1010.296229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.296229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.296229 (E_RNA)
where:
Base-Base interactions energy: -637.138
where: short stacking energy: -292.797
Base-Backbone interact. energy: 0.804
local terms energy: -373.961808
where:
bonds (distance) C4'-P energy: -88.605
bonds (distance) P-C4' energy: -87.692
flat angles C4'-P-C4' energy: -88.401
flat angles P-C4'-P energy: -57.882
tors. eta vs tors. theta energy: -51.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -681.967074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.967074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.967074 (E_RNA)
where:
Base-Base interactions energy: -397.427
where: short stacking energy: -191.035
Base-Backbone interact. energy: 3.489
local terms energy: -288.029575
where:
bonds (distance) C4'-P energy: -65.956
bonds (distance) P-C4' energy: -78.602
flat angles C4'-P-C4' energy: -87.656
flat angles P-C4'-P energy: -51.319
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1847.114801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.114801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.114801 (E_RNA)
where:
Base-Base interactions energy: -1293.962
where: short stacking energy: -516.234
Base-Backbone interact. energy: -2.750
local terms energy: -550.403356
where:
bonds (distance) C4'-P energy: -108.756
bonds (distance) P-C4' energy: -111.237
flat angles C4'-P-C4' energy: -121.933
flat angles P-C4'-P energy: -66.616
tors. eta vs tors. theta energy: -141.861
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: 72
Temperature: 0.950000
Total energy: -1790.406157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.406157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.406157 (E_RNA)
where:
Base-Base interactions energy: -1253.066
where: short stacking energy: -510.471
Base-Backbone interact. energy: 2.901
local terms energy: -540.241477
where:
bonds (distance) C4'-P energy: -96.085
bonds (distance) P-C4' energy: -109.471
flat angles C4'-P-C4' energy: -119.999
flat angles P-C4'-P energy: -78.399
tors. eta vs tors. theta energy: -136.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1730.016061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.016061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.016061 (E_RNA)
where:
Base-Base interactions energy: -1231.044
where: short stacking energy: -448.535
Base-Backbone interact. energy: -5.151
local terms energy: -493.820972
where:
bonds (distance) C4'-P energy: -86.082
bonds (distance) P-C4' energy: -101.112
flat angles C4'-P-C4' energy: -94.236
flat angles P-C4'-P energy: -86.416
tors. eta vs tors. theta energy: -125.976
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: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1621.460066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.460066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.460066 (E_RNA)
where:
Base-Base interactions energy: -1136.468
where: short stacking energy: -453.303
Base-Backbone interact. energy: -3.299
local terms energy: -481.693503
where:
bonds (distance) C4'-P energy: -80.793
bonds (distance) P-C4' energy: -100.551
flat angles C4'-P-C4' energy: -111.332
flat angles P-C4'-P energy: -63.293
tors. eta vs tors. theta energy: -125.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1544.495062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.495062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.495062 (E_RNA)
where:
Base-Base interactions energy: -1046.641
where: short stacking energy: -464.702
Base-Backbone interact. energy: -0.710
local terms energy: -497.143558
where:
bonds (distance) C4'-P energy: -98.861
bonds (distance) P-C4' energy: -91.706
flat angles C4'-P-C4' energy: -110.924
flat angles P-C4'-P energy: -65.442
tors. eta vs tors. theta energy: -130.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1467.648431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.648431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.648431 (E_RNA)
where:
Base-Base interactions energy: -1023.914
where: short stacking energy: -422.066
Base-Backbone interact. energy: -3.176
local terms energy: -440.559061
where:
bonds (distance) C4'-P energy: -83.112
bonds (distance) P-C4' energy: -89.001
flat angles C4'-P-C4' energy: -105.427
flat angles P-C4'-P energy: -59.086
tors. eta vs tors. theta energy: -103.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1317.648006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.648006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.648006 (E_RNA)
where:
Base-Base interactions energy: -898.252
where: short stacking energy: -364.664
Base-Backbone interact. energy: -2.266
local terms energy: -417.130673
where:
bonds (distance) C4'-P energy: -82.513
bonds (distance) P-C4' energy: -94.410
flat angles C4'-P-C4' energy: -99.064
flat angles P-C4'-P energy: -59.685
tors. eta vs tors. theta energy: -81.458
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: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1285.138916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.138916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.138916 (E_RNA)
where:
Base-Base interactions energy: -884.935
where: short stacking energy: -382.297
Base-Backbone interact. energy: -2.417
local terms energy: -397.787082
where:
bonds (distance) C4'-P energy: -70.500
bonds (distance) P-C4' energy: -82.978
flat angles C4'-P-C4' energy: -108.674
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -93.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1021.581775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.581775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.581775 (E_RNA)
where:
Base-Base interactions energy: -624.759
where: short stacking energy: -282.426
Base-Backbone interact. energy: 1.260
local terms energy: -398.083054
where:
bonds (distance) C4'-P energy: -98.916
bonds (distance) P-C4' energy: -95.864
flat angles C4'-P-C4' energy: -88.405
flat angles P-C4'-P energy: -58.877
tors. eta vs tors. theta energy: -56.021
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: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -650.413099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.413099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.413099 (E_RNA)
where:
Base-Base interactions energy: -354.167
where: short stacking energy: -178.515
Base-Backbone interact. energy: -0.132
local terms energy: -296.113582
where:
bonds (distance) C4'-P energy: -86.405
bonds (distance) P-C4' energy: -87.254
flat angles C4'-P-C4' energy: -73.567
flat angles P-C4'-P energy: -60.679
tors. eta vs tors. theta energy: 11.791
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: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1851.478438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.478438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.478438 (E_RNA)
where:
Base-Base interactions energy: -1297.634
where: short stacking energy: -524.508
Base-Backbone interact. energy: -3.051
local terms energy: -550.793278
where:
bonds (distance) C4'-P energy: -106.824
bonds (distance) P-C4' energy: -94.143
flat angles C4'-P-C4' energy: -119.499
flat angles P-C4'-P energy: -80.034
tors. eta vs tors. theta energy: -150.293
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: 73
Temperature: 0.950000
Total energy: -1786.527763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.527763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.527763 (E_RNA)
where:
Base-Base interactions energy: -1233.923
where: short stacking energy: -498.416
Base-Backbone interact. energy: -3.660
local terms energy: -548.944927
where:
bonds (distance) C4'-P energy: -104.319
bonds (distance) P-C4' energy: -105.833
flat angles C4'-P-C4' energy: -127.667
flat angles P-C4'-P energy: -74.153
tors. eta vs tors. theta energy: -136.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1761.265474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.265474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.265474 (E_RNA)
where:
Base-Base interactions energy: -1249.070
where: short stacking energy: -483.121
Base-Backbone interact. energy: -7.102
local terms energy: -505.092670
where:
bonds (distance) C4'-P energy: -91.380
bonds (distance) P-C4' energy: -95.554
flat angles C4'-P-C4' energy: -115.013
flat angles P-C4'-P energy: -68.426
tors. eta vs tors. theta energy: -134.720
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: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1578.255345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.255345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.255345 (E_RNA)
where:
Base-Base interactions energy: -1118.723
where: short stacking energy: -446.233
Base-Backbone interact. energy: -0.895
local terms energy: -458.636704
where:
bonds (distance) C4'-P energy: -82.045
bonds (distance) P-C4' energy: -100.596
flat angles C4'-P-C4' energy: -93.079
flat angles P-C4'-P energy: -70.601
tors. eta vs tors. theta energy: -112.315
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: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1554.522589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.522589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.522589 (E_RNA)
where:
Base-Base interactions energy: -1085.341
where: short stacking energy: -443.730
Base-Backbone interact. energy: -3.262
local terms energy: -465.918782
where:
bonds (distance) C4'-P energy: -91.642
bonds (distance) P-C4' energy: -93.661
flat angles C4'-P-C4' energy: -102.652
flat angles P-C4'-P energy: -65.905
tors. eta vs tors. theta energy: -112.059
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: 73
Temperature: 1.150000
Total energy: -1439.303876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.303876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.303876 (E_RNA)
where:
Base-Base interactions energy: -983.014
where: short stacking energy: -409.066
Base-Backbone interact. energy: -2.314
local terms energy: -453.976491
where:
bonds (distance) C4'-P energy: -91.128
bonds (distance) P-C4' energy: -97.104
flat angles C4'-P-C4' energy: -100.454
flat angles P-C4'-P energy: -53.647
tors. eta vs tors. theta energy: -111.645
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: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1334.187801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.187801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.187801 (E_RNA)
where:
Base-Base interactions energy: -884.425
where: short stacking energy: -364.358
Base-Backbone interact. energy: -1.228
local terms energy: -448.535686
where:
bonds (distance) C4'-P energy: -90.048
bonds (distance) P-C4' energy: -94.337
flat angles C4'-P-C4' energy: -102.362
flat angles P-C4'-P energy: -67.547
tors. eta vs tors. theta energy: -94.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1224.833822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.833822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.833822 (E_RNA)
where:
Base-Base interactions energy: -847.805
where: short stacking energy: -377.077
Base-Backbone interact. energy: 0.807
local terms energy: -377.835914
where:
bonds (distance) C4'-P energy: -75.382
bonds (distance) P-C4' energy: -84.476
flat angles C4'-P-C4' energy: -93.097
flat angles P-C4'-P energy: -60.775
tors. eta vs tors. theta energy: -64.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1029.903298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.903298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.903298 (E_RNA)
where:
Base-Base interactions energy: -685.600
where: short stacking energy: -297.708
Base-Backbone interact. energy: 0.077
local terms energy: -344.379886
where:
bonds (distance) C4'-P energy: -70.926
bonds (distance) P-C4' energy: -92.828
flat angles C4'-P-C4' energy: -78.876
flat angles P-C4'-P energy: -42.067
tors. eta vs tors. theta energy: -59.683
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: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -609.201976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.201976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.201976 (E_RNA)
where:
Base-Base interactions energy: -302.550
where: short stacking energy: -169.726
Base-Backbone interact. energy: -1.842
local terms energy: -304.810051
where:
bonds (distance) C4'-P energy: -97.795
bonds (distance) P-C4' energy: -94.763
flat angles C4'-P-C4' energy: -67.959
flat angles P-C4'-P energy: -35.187
tors. eta vs tors. theta energy: -9.107
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: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1836.790040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.790040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.790040 (E_RNA)
where:
Base-Base interactions energy: -1291.922
where: short stacking energy: -536.776
Base-Backbone interact. energy: -4.322
local terms energy: -540.546021
where:
bonds (distance) C4'-P energy: -98.892
bonds (distance) P-C4' energy: -96.443
flat angles C4'-P-C4' energy: -120.779
flat angles P-C4'-P energy: -77.627
tors. eta vs tors. theta energy: -146.806
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: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1809.333773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.333773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.333773 (E_RNA)
where:
Base-Base interactions energy: -1263.813
where: short stacking energy: -515.370
Base-Backbone interact. energy: -6.403
local terms energy: -539.117438
where:
bonds (distance) C4'-P energy: -91.343
bonds (distance) P-C4' energy: -95.594
flat angles C4'-P-C4' energy: -121.727
flat angles P-C4'-P energy: -83.314
tors. eta vs tors. theta energy: -147.140
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: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1760.018416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.018416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.018416 (E_RNA)
where:
Base-Base interactions energy: -1240.739
where: short stacking energy: -481.590
Base-Backbone interact. energy: -0.166
local terms energy: -519.112710
where:
bonds (distance) C4'-P energy: -104.079
bonds (distance) P-C4' energy: -101.962
flat angles C4'-P-C4' energy: -113.043
flat angles P-C4'-P energy: -72.468
tors. eta vs tors. theta energy: -127.562
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: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1580.579042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.579042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.579042 (E_RNA)
where:
Base-Base interactions energy: -1073.950
where: short stacking energy: -430.700
Base-Backbone interact. energy: 1.252
local terms energy: -507.880805
where:
bonds (distance) C4'-P energy: -104.220
bonds (distance) P-C4' energy: -101.082
flat angles C4'-P-C4' energy: -115.280
flat angles P-C4'-P energy: -72.057
tors. eta vs tors. theta energy: -115.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1554.130694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.130694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.130694 (E_RNA)
where:
Base-Base interactions energy: -1096.667
where: short stacking energy: -455.675
Base-Backbone interact. energy: -2.607
local terms energy: -454.856815
where:
bonds (distance) C4'-P energy: -80.359
bonds (distance) P-C4' energy: -93.726
flat angles C4'-P-C4' energy: -102.211
flat angles P-C4'-P energy: -68.810
tors. eta vs tors. theta energy: -109.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1477.644054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.644054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.644054 (E_RNA)
where:
Base-Base interactions energy: -1051.545
where: short stacking energy: -420.058
Base-Backbone interact. energy: -2.072
local terms energy: -424.026890
where:
bonds (distance) C4'-P energy: -77.888
bonds (distance) P-C4' energy: -83.975
flat angles C4'-P-C4' energy: -85.015
flat angles P-C4'-P energy: -72.838
tors. eta vs tors. theta energy: -104.311
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: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1303.438895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.438895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.438895 (E_RNA)
where:
Base-Base interactions energy: -882.751
where: short stacking energy: -364.515
Base-Backbone interact. energy: -3.355
local terms energy: -417.332514
where:
bonds (distance) C4'-P energy: -96.485
bonds (distance) P-C4' energy: -73.466
flat angles C4'-P-C4' energy: -105.502
flat angles P-C4'-P energy: -47.180
tors. eta vs tors. theta energy: -94.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1198.311681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.311681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.311681 (E_RNA)
where:
Base-Base interactions energy: -829.301
where: short stacking energy: -340.085
Base-Backbone interact. energy: 2.400
local terms energy: -371.410246
where:
bonds (distance) C4'-P energy: -75.301
bonds (distance) P-C4' energy: -88.435
flat angles C4'-P-C4' energy: -92.488
flat angles P-C4'-P energy: -43.246
tors. eta vs tors. theta energy: -71.940
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: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -986.966314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.966314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.966314 (E_RNA)
where:
Base-Base interactions energy: -658.444
where: short stacking energy: -292.434
Base-Backbone interact. energy: 2.099
local terms energy: -330.621405
where:
bonds (distance) C4'-P energy: -73.500
bonds (distance) P-C4' energy: -81.915
flat angles C4'-P-C4' energy: -71.026
flat angles P-C4'-P energy: -56.918
tors. eta vs tors. theta energy: -47.262
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: 74
Temperature: 1.350000
Total energy: -650.784685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.784685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.784685 (E_RNA)
where:
Base-Base interactions energy: -339.638
where: short stacking energy: -180.086
Base-Backbone interact. energy: -1.021
local terms energy: -310.124987
where:
bonds (distance) C4'-P energy: -91.755
bonds (distance) P-C4' energy: -86.481
flat angles C4'-P-C4' energy: -76.648
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -11.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1840.741064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.741064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.741064 (E_RNA)
where:
Base-Base interactions energy: -1290.310
where: short stacking energy: -538.633
Base-Backbone interact. energy: -1.387
local terms energy: -549.043920
where:
bonds (distance) C4'-P energy: -96.894
bonds (distance) P-C4' energy: -102.818
flat angles C4'-P-C4' energy: -120.083
flat angles P-C4'-P energy: -82.848
tors. eta vs tors. theta energy: -146.401
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: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1781.561486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.561486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.561486 (E_RNA)
where:
Base-Base interactions energy: -1244.445
where: short stacking energy: -493.790
Base-Backbone interact. energy: 3.245
local terms energy: -540.361059
where:
bonds (distance) C4'-P energy: -105.056
bonds (distance) P-C4' energy: -110.313
flat angles C4'-P-C4' energy: -111.695
flat angles P-C4'-P energy: -73.189
tors. eta vs tors. theta energy: -140.108
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: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1749.984760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.984760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.984760 (E_RNA)
where:
Base-Base interactions energy: -1229.087
where: short stacking energy: -493.054
Base-Backbone interact. energy: -2.397
local terms energy: -518.500293
where:
bonds (distance) C4'-P energy: -103.087
bonds (distance) P-C4' energy: -99.173
flat angles C4'-P-C4' energy: -109.954
flat angles P-C4'-P energy: -69.207
tors. eta vs tors. theta energy: -137.080
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: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1626.301633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.301633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.301633 (E_RNA)
where:
Base-Base interactions energy: -1136.962
where: short stacking energy: -459.208
Base-Backbone interact. energy: -0.724
local terms energy: -488.614962
where:
bonds (distance) C4'-P energy: -92.816
bonds (distance) P-C4' energy: -92.498
flat angles C4'-P-C4' energy: -107.199
flat angles P-C4'-P energy: -78.449
tors. eta vs tors. theta energy: -117.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1496.701634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.701634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.701634 (E_RNA)
where:
Base-Base interactions energy: -1040.883
where: short stacking energy: -427.036
Base-Backbone interact. energy: 1.132
local terms energy: -456.950565
where:
bonds (distance) C4'-P energy: -90.370
bonds (distance) P-C4' energy: -87.810
flat angles C4'-P-C4' energy: -102.425
flat angles P-C4'-P energy: -78.665
tors. eta vs tors. theta energy: -97.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1501.779670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.779670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.779670 (E_RNA)
where:
Base-Base interactions energy: -1052.717
where: short stacking energy: -417.507
Base-Backbone interact. energy: 0.774
local terms energy: -449.837061
where:
bonds (distance) C4'-P energy: -86.661
bonds (distance) P-C4' energy: -93.709
flat angles C4'-P-C4' energy: -95.980
flat angles P-C4'-P energy: -69.619
tors. eta vs tors. theta energy: -103.868
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: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1310.409393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.409393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.409393 (E_RNA)
where:
Base-Base interactions energy: -863.165
where: short stacking energy: -375.821
Base-Backbone interact. energy: -0.854
local terms energy: -446.390802
where:
bonds (distance) C4'-P energy: -106.077
bonds (distance) P-C4' energy: -93.143
flat angles C4'-P-C4' energy: -101.123
flat angles P-C4'-P energy: -57.093
tors. eta vs tors. theta energy: -88.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1155.276862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.276862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.276862 (E_RNA)
where:
Base-Base interactions energy: -792.258
where: short stacking energy: -338.338
Base-Backbone interact. energy: 3.925
local terms energy: -366.943359
where:
bonds (distance) C4'-P energy: -82.967
bonds (distance) P-C4' energy: -83.619
flat angles C4'-P-C4' energy: -79.585
flat angles P-C4'-P energy: -49.742
tors. eta vs tors. theta energy: -71.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -995.928538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.928538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.928538 (E_RNA)
where:
Base-Base interactions energy: -637.065
where: short stacking energy: -268.463
Base-Backbone interact. energy: -0.257
local terms energy: -358.606000
where:
bonds (distance) C4'-P energy: -87.121
bonds (distance) P-C4' energy: -90.353
flat angles C4'-P-C4' energy: -87.616
flat angles P-C4'-P energy: -46.084
tors. eta vs tors. theta energy: -47.431
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: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -620.517099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.517099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.517099 (E_RNA)
where:
Base-Base interactions energy: -320.113
where: short stacking energy: -178.466
Base-Backbone interact. energy: 2.416
local terms energy: -302.819981
where:
bonds (distance) C4'-P energy: -86.250
bonds (distance) P-C4' energy: -83.694
flat angles C4'-P-C4' energy: -89.879
flat angles P-C4'-P energy: -40.268
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1836.651875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.651875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.651875 (E_RNA)
where:
Base-Base interactions energy: -1297.024
where: short stacking energy: -544.251
Base-Backbone interact. energy: -2.169
local terms energy: -537.459044
where:
bonds (distance) C4'-P energy: -96.228
bonds (distance) P-C4' energy: -97.244
flat angles C4'-P-C4' energy: -119.989
flat angles P-C4'-P energy: -78.304
tors. eta vs tors. theta energy: -145.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1772.498956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.498956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.498956 (E_RNA)
where:
Base-Base interactions energy: -1253.954
where: short stacking energy: -504.122
Base-Backbone interact. energy: 3.263
local terms energy: -521.807707
where:
bonds (distance) C4'-P energy: -88.091
bonds (distance) P-C4' energy: -104.026
flat angles C4'-P-C4' energy: -115.378
flat angles P-C4'-P energy: -83.014
tors. eta vs tors. theta energy: -131.298
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: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1742.350481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.350481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.350481 (E_RNA)
where:
Base-Base interactions energy: -1235.652
where: short stacking energy: -484.999
Base-Backbone interact. energy: -1.923
local terms energy: -504.775704
where:
bonds (distance) C4'-P energy: -93.187
bonds (distance) P-C4' energy: -95.566
flat angles C4'-P-C4' energy: -105.501
flat angles P-C4'-P energy: -74.705
tors. eta vs tors. theta energy: -135.816
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: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1603.810187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.810187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.810187 (E_RNA)
where:
Base-Base interactions energy: -1110.673
where: short stacking energy: -459.494
Base-Backbone interact. energy: -1.858
local terms energy: -491.279227
where:
bonds (distance) C4'-P energy: -97.124
bonds (distance) P-C4' energy: -96.512
flat angles C4'-P-C4' energy: -101.879
flat angles P-C4'-P energy: -70.461
tors. eta vs tors. theta energy: -125.303
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: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1519.325531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.325531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.325531 (E_RNA)
where:
Base-Base interactions energy: -1078.890
where: short stacking energy: -432.767
Base-Backbone interact. energy: -1.790
local terms energy: -438.645153
where:
bonds (distance) C4'-P energy: -88.612
bonds (distance) P-C4' energy: -89.791
flat angles C4'-P-C4' energy: -94.913
flat angles P-C4'-P energy: -65.123
tors. eta vs tors. theta energy: -100.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1412.333259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.333259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.333259 (E_RNA)
where:
Base-Base interactions energy: -993.370
where: short stacking energy: -422.748
Base-Backbone interact. energy: -1.909
local terms energy: -417.053508
where:
bonds (distance) C4'-P energy: -71.471
bonds (distance) P-C4' energy: -84.966
flat angles C4'-P-C4' energy: -101.894
flat angles P-C4'-P energy: -67.354
tors. eta vs tors. theta energy: -91.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1363.767150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.767150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.767150 (E_RNA)
where:
Base-Base interactions energy: -924.285
where: short stacking energy: -373.372
Base-Backbone interact. energy: 0.339
local terms energy: -439.820930
where:
bonds (distance) C4'-P energy: -87.384
bonds (distance) P-C4' energy: -99.446
flat angles C4'-P-C4' energy: -102.452
flat angles P-C4'-P energy: -61.690
tors. eta vs tors. theta energy: -88.849
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: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1164.135465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.135465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.135465 (E_RNA)
where:
Base-Base interactions energy: -770.307
where: short stacking energy: -319.662
Base-Backbone interact. energy: -3.976
local terms energy: -389.851973
where:
bonds (distance) C4'-P energy: -79.078
bonds (distance) P-C4' energy: -83.851
flat angles C4'-P-C4' energy: -102.301
flat angles P-C4'-P energy: -55.082
tors. eta vs tors. theta energy: -69.539
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: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1009.582665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.582665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.582665 (E_RNA)
where:
Base-Base interactions energy: -662.991
where: short stacking energy: -293.099
Base-Backbone interact. energy: -0.941
local terms energy: -345.651498
where:
bonds (distance) C4'-P energy: -78.722
bonds (distance) P-C4' energy: -75.832
flat angles C4'-P-C4' energy: -95.392
flat angles P-C4'-P energy: -52.013
tors. eta vs tors. theta energy: -43.693
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: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -604.375005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.375005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.375005 (E_RNA)
where:
Base-Base interactions energy: -336.199
where: short stacking energy: -157.282
Base-Backbone interact. energy: 5.323
local terms energy: -273.498953
where:
bonds (distance) C4'-P energy: -76.563
bonds (distance) P-C4' energy: -85.678
flat angles C4'-P-C4' energy: -60.370
flat angles P-C4'-P energy: -55.805
tors. eta vs tors. theta energy: 4.916
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: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1840.224539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.224539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.224539 (E_RNA)
where:
Base-Base interactions energy: -1305.269
where: short stacking energy: -522.100
Base-Backbone interact. energy: -1.897
local terms energy: -533.058831
where:
bonds (distance) C4'-P energy: -97.554
bonds (distance) P-C4' energy: -100.976
flat angles C4'-P-C4' energy: -114.527
flat angles P-C4'-P energy: -84.226
tors. eta vs tors. theta energy: -135.775
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: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1788.484344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.484344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.484344 (E_RNA)
where:
Base-Base interactions energy: -1268.987
where: short stacking energy: -499.244
Base-Backbone interact. energy: -5.063
local terms energy: -514.434287
where:
bonds (distance) C4'-P energy: -107.699
bonds (distance) P-C4' energy: -99.863
flat angles C4'-P-C4' energy: -115.491
flat angles P-C4'-P energy: -65.247
tors. eta vs tors. theta energy: -126.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1747.520271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.520271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.520271 (E_RNA)
where:
Base-Base interactions energy: -1248.273
where: short stacking energy: -483.076
Base-Backbone interact. energy: -3.205
local terms energy: -496.043033
where:
bonds (distance) C4'-P energy: -83.776
bonds (distance) P-C4' energy: -100.728
flat angles C4'-P-C4' energy: -113.549
flat angles P-C4'-P energy: -72.056
tors. eta vs tors. theta energy: -125.933
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: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1587.942027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.942027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.942027 (E_RNA)
where:
Base-Base interactions energy: -1118.564
where: short stacking energy: -466.061
Base-Backbone interact. energy: 1.378
local terms energy: -470.755945
where:
bonds (distance) C4'-P energy: -80.018
bonds (distance) P-C4' energy: -90.601
flat angles C4'-P-C4' energy: -104.745
flat angles P-C4'-P energy: -73.930
tors. eta vs tors. theta energy: -121.462
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: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1493.074899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.074899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.074899 (E_RNA)
where:
Base-Base interactions energy: -1046.582
where: short stacking energy: -432.724
Base-Backbone interact. energy: 0.749
local terms energy: -447.241879
where:
bonds (distance) C4'-P energy: -76.873
bonds (distance) P-C4' energy: -103.952
flat angles C4'-P-C4' energy: -80.641
flat angles P-C4'-P energy: -76.482
tors. eta vs tors. theta energy: -109.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1471.899717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.899717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.899717 (E_RNA)
where:
Base-Base interactions energy: -1048.161
where: short stacking energy: -428.380
Base-Backbone interact. energy: -2.794
local terms energy: -420.944802
where:
bonds (distance) C4'-P energy: -81.686
bonds (distance) P-C4' energy: -83.939
flat angles C4'-P-C4' energy: -94.814
flat angles P-C4'-P energy: -54.265
tors. eta vs tors. theta energy: -106.241
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: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1340.285803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.285803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.285803 (E_RNA)
where:
Base-Base interactions energy: -925.654
where: short stacking energy: -379.165
Base-Backbone interact. energy: -2.626
local terms energy: -412.005724
where:
bonds (distance) C4'-P energy: -65.241
bonds (distance) P-C4' energy: -86.997
flat angles C4'-P-C4' energy: -100.070
flat angles P-C4'-P energy: -52.877
tors. eta vs tors. theta energy: -106.822
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: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1198.526157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.526157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.526157 (E_RNA)
where:
Base-Base interactions energy: -814.208
where: short stacking energy: -351.254
Base-Backbone interact. energy: -0.348
local terms energy: -383.969755
where:
bonds (distance) C4'-P energy: -76.392
bonds (distance) P-C4' energy: -90.358
flat angles C4'-P-C4' energy: -89.420
flat angles P-C4'-P energy: -60.898
tors. eta vs tors. theta energy: -66.902
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: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -974.487950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.487950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.487950 (E_RNA)
where:
Base-Base interactions energy: -617.634
where: short stacking energy: -301.940
Base-Backbone interact. energy: 3.303
local terms energy: -360.157437
where:
bonds (distance) C4'-P energy: -79.386
bonds (distance) P-C4' energy: -95.440
flat angles C4'-P-C4' energy: -75.571
flat angles P-C4'-P energy: -55.472
tors. eta vs tors. theta energy: -54.288
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: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -622.534948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.534948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.534948 (E_RNA)
where:
Base-Base interactions energy: -340.329
where: short stacking energy: -171.637
Base-Backbone interact. energy: 0.459
local terms energy: -282.664954
where:
bonds (distance) C4'-P energy: -67.223
bonds (distance) P-C4' energy: -88.486
flat angles C4'-P-C4' energy: -75.558
flat angles P-C4'-P energy: -45.281
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1833.453439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.453439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.453439 (E_RNA)
where:
Base-Base interactions energy: -1285.856
where: short stacking energy: -531.238
Base-Backbone interact. energy: -5.541
local terms energy: -542.056743
where:
bonds (distance) C4'-P energy: -99.782
bonds (distance) P-C4' energy: -101.505
flat angles C4'-P-C4' energy: -121.068
flat angles P-C4'-P energy: -71.365
tors. eta vs tors. theta energy: -148.337
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: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1793.413811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.413811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.413811 (E_RNA)
where:
Base-Base interactions energy: -1279.521
where: short stacking energy: -503.915
Base-Backbone interact. energy: -0.114
local terms energy: -513.779462
where:
bonds (distance) C4'-P energy: -98.682
bonds (distance) P-C4' energy: -106.815
flat angles C4'-P-C4' energy: -107.770
flat angles P-C4'-P energy: -68.494
tors. eta vs tors. theta energy: -132.019
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: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1716.832904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.832904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.832904 (E_RNA)
where:
Base-Base interactions energy: -1218.669
where: short stacking energy: -481.165
Base-Backbone interact. energy: -4.859
local terms energy: -493.304804
where:
bonds (distance) C4'-P energy: -91.912
bonds (distance) P-C4' energy: -103.447
flat angles C4'-P-C4' energy: -107.034
flat angles P-C4'-P energy: -68.350
tors. eta vs tors. theta energy: -122.562
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: 78
Temperature: 1.050000
Total energy: -1595.852380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.852380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.852380 (E_RNA)
where:
Base-Base interactions energy: -1124.072
where: short stacking energy: -432.584
Base-Backbone interact. energy: -2.494
local terms energy: -469.286456
where:
bonds (distance) C4'-P energy: -86.864
bonds (distance) P-C4' energy: -103.757
flat angles C4'-P-C4' energy: -104.837
flat angles P-C4'-P energy: -57.623
tors. eta vs tors. theta energy: -116.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1529.736905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.736905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.736905 (E_RNA)
where:
Base-Base interactions energy: -1067.587
where: short stacking energy: -429.738
Base-Backbone interact. energy: -4.547
local terms energy: -457.602943
where:
bonds (distance) C4'-P energy: -98.361
bonds (distance) P-C4' energy: -95.948
flat angles C4'-P-C4' energy: -94.313
flat angles P-C4'-P energy: -52.760
tors. eta vs tors. theta energy: -116.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1467.968861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.968861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.968861 (E_RNA)
where:
Base-Base interactions energy: -1023.814
where: short stacking energy: -418.567
Base-Backbone interact. energy: -3.189
local terms energy: -440.966408
where:
bonds (distance) C4'-P energy: -77.057
bonds (distance) P-C4' energy: -75.821
flat angles C4'-P-C4' energy: -100.097
flat angles P-C4'-P energy: -75.720
tors. eta vs tors. theta energy: -112.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1332.327063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.327063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.327063 (E_RNA)
where:
Base-Base interactions energy: -922.757
where: short stacking energy: -383.944
Base-Backbone interact. energy: 0.074
local terms energy: -409.644006
where:
bonds (distance) C4'-P energy: -84.738
bonds (distance) P-C4' energy: -91.106
flat angles C4'-P-C4' energy: -95.188
flat angles P-C4'-P energy: -53.791
tors. eta vs tors. theta energy: -84.821
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: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1248.310421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.310421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.310421 (E_RNA)
where:
Base-Base interactions energy: -845.944
where: short stacking energy: -337.399
Base-Backbone interact. energy: 3.347
local terms energy: -405.713660
where:
bonds (distance) C4'-P energy: -85.742
bonds (distance) P-C4' energy: -96.237
flat angles C4'-P-C4' energy: -91.129
flat angles P-C4'-P energy: -64.471
tors. eta vs tors. theta energy: -68.134
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: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -953.889064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.889064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.889064 (E_RNA)
where:
Base-Base interactions energy: -629.008
where: short stacking energy: -286.530
Base-Backbone interact. energy: -1.105
local terms energy: -323.776252
where:
bonds (distance) C4'-P energy: -57.481
bonds (distance) P-C4' energy: -83.883
flat angles C4'-P-C4' energy: -88.034
flat angles P-C4'-P energy: -41.891
tors. eta vs tors. theta energy: -52.487
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: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -610.493047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.493047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.493047 (E_RNA)
where:
Base-Base interactions energy: -362.612
where: short stacking energy: -198.822
Base-Backbone interact. energy: 1.733
local terms energy: -249.614153
where:
bonds (distance) C4'-P energy: -68.910
bonds (distance) P-C4' energy: -67.788
flat angles C4'-P-C4' energy: -58.679
flat angles P-C4'-P energy: -41.289
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1835.167801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.167801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.167801 (E_RNA)
where:
Base-Base interactions energy: -1305.924
where: short stacking energy: -523.378
Base-Backbone interact. energy: -4.737
local terms energy: -524.507383
where:
bonds (distance) C4'-P energy: -90.075
bonds (distance) P-C4' energy: -108.221
flat angles C4'-P-C4' energy: -113.792
flat angles P-C4'-P energy: -77.493
tors. eta vs tors. theta energy: -134.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1805.152053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.152053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.152053 (E_RNA)
where:
Base-Base interactions energy: -1262.957
where: short stacking energy: -494.992
Base-Backbone interact. energy: 0.626
local terms energy: -542.821031
where:
bonds (distance) C4'-P energy: -97.019
bonds (distance) P-C4' energy: -109.289
flat angles C4'-P-C4' energy: -110.191
flat angles P-C4'-P energy: -80.264
tors. eta vs tors. theta energy: -146.058
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: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1715.971876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.971876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.971876 (E_RNA)
where:
Base-Base interactions energy: -1214.810
where: short stacking energy: -504.560
Base-Backbone interact. energy: -4.037
local terms energy: -497.124210
where:
bonds (distance) C4'-P energy: -83.968
bonds (distance) P-C4' energy: -101.175
flat angles C4'-P-C4' energy: -107.479
flat angles P-C4'-P energy: -72.258
tors. eta vs tors. theta energy: -132.245
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: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1621.115500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.115500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.115500 (E_RNA)
where:
Base-Base interactions energy: -1145.568
where: short stacking energy: -472.481
Base-Backbone interact. energy: -4.263
local terms energy: -471.284201
where:
bonds (distance) C4'-P energy: -82.576
bonds (distance) P-C4' energy: -94.769
flat angles C4'-P-C4' energy: -106.599
flat angles P-C4'-P energy: -62.645
tors. eta vs tors. theta energy: -124.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1538.899803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.899803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.899803 (E_RNA)
where:
Base-Base interactions energy: -1067.660
where: short stacking energy: -428.186
Base-Backbone interact. energy: 0.501
local terms energy: -471.741231
where:
bonds (distance) C4'-P energy: -80.669
bonds (distance) P-C4' energy: -89.610
flat angles C4'-P-C4' energy: -120.957
flat angles P-C4'-P energy: -64.797
tors. eta vs tors. theta energy: -115.708
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: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1434.354941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.354941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.354941 (E_RNA)
where:
Base-Base interactions energy: -999.623
where: short stacking energy: -395.983
Base-Backbone interact. energy: -3.728
local terms energy: -431.004053
where:
bonds (distance) C4'-P energy: -90.052
bonds (distance) P-C4' energy: -86.304
flat angles C4'-P-C4' energy: -87.995
flat angles P-C4'-P energy: -66.932
tors. eta vs tors. theta energy: -99.721
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: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1387.481942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.481942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.481942 (E_RNA)
where:
Base-Base interactions energy: -947.985
where: short stacking energy: -382.845
Base-Backbone interact. energy: -1.526
local terms energy: -437.971214
where:
bonds (distance) C4'-P energy: -91.622
bonds (distance) P-C4' energy: -88.566
flat angles C4'-P-C4' energy: -101.068
flat angles P-C4'-P energy: -67.964
tors. eta vs tors. theta energy: -88.752
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: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1332.797029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.797029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.797029 (E_RNA)
where:
Base-Base interactions energy: -905.625
where: short stacking energy: -372.915
Base-Backbone interact. energy: 0.318
local terms energy: -427.490160
where:
bonds (distance) C4'-P energy: -89.834
bonds (distance) P-C4' energy: -92.773
flat angles C4'-P-C4' energy: -91.304
flat angles P-C4'-P energy: -66.090
tors. eta vs tors. theta energy: -87.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1022.448801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.448801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.448801 (E_RNA)
where:
Base-Base interactions energy: -639.195
where: short stacking energy: -303.584
Base-Backbone interact. energy: -1.555
local terms energy: -381.699016
where:
bonds (distance) C4'-P energy: -86.959
bonds (distance) P-C4' energy: -102.468
flat angles C4'-P-C4' energy: -81.822
flat angles P-C4'-P energy: -63.087
tors. eta vs tors. theta energy: -47.364
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: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -644.300776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.300776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.300776 (E_RNA)
where:
Base-Base interactions energy: -353.596
where: short stacking energy: -198.041
Base-Backbone interact. energy: 4.051
local terms energy: -294.755743
where:
bonds (distance) C4'-P energy: -83.244
bonds (distance) P-C4' energy: -88.304
flat angles C4'-P-C4' energy: -85.156
flat angles P-C4'-P energy: -29.987
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1835.700281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.700281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.700281 (E_RNA)
where:
Base-Base interactions energy: -1279.431
where: short stacking energy: -515.103
Base-Backbone interact. energy: -3.890
local terms energy: -552.378871
where:
bonds (distance) C4'-P energy: -100.152
bonds (distance) P-C4' energy: -109.341
flat angles C4'-P-C4' energy: -120.337
flat angles P-C4'-P energy: -83.833
tors. eta vs tors. theta energy: -138.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1782.560273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.560273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.560273 (E_RNA)
where:
Base-Base interactions energy: -1224.469
where: short stacking energy: -501.914
Base-Backbone interact. energy: -3.968
local terms energy: -554.123102
where:
bonds (distance) C4'-P energy: -102.244
bonds (distance) P-C4' energy: -110.118
flat angles C4'-P-C4' energy: -110.265
flat angles P-C4'-P energy: -85.822
tors. eta vs tors. theta energy: -145.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1764.677635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.677635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.677635 (E_RNA)
where:
Base-Base interactions energy: -1238.367
where: short stacking energy: -495.280
Base-Backbone interact. energy: -1.792
local terms energy: -524.518699
where:
bonds (distance) C4'-P energy: -100.537
bonds (distance) P-C4' energy: -107.349
flat angles C4'-P-C4' energy: -109.694
flat angles P-C4'-P energy: -78.622
tors. eta vs tors. theta energy: -128.317
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: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1618.667331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.667331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.667331 (E_RNA)
where:
Base-Base interactions energy: -1126.285
where: short stacking energy: -467.086
Base-Backbone interact. energy: -1.659
local terms energy: -490.723159
where:
bonds (distance) C4'-P energy: -96.879
bonds (distance) P-C4' energy: -109.751
flat angles C4'-P-C4' energy: -99.201
flat angles P-C4'-P energy: -65.001
tors. eta vs tors. theta energy: -119.892
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: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1561.220706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.220706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.220706 (E_RNA)
where:
Base-Base interactions energy: -1105.125
where: short stacking energy: -432.114
Base-Backbone interact. energy: -0.604
local terms energy: -455.492472
where:
bonds (distance) C4'-P energy: -84.403
bonds (distance) P-C4' energy: -101.771
flat angles C4'-P-C4' energy: -105.118
flat angles P-C4'-P energy: -52.911
tors. eta vs tors. theta energy: -111.289
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: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1391.547895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.547895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.547895 (E_RNA)
where:
Base-Base interactions energy: -945.123
where: short stacking energy: -400.829
Base-Backbone interact. energy: 3.467
local terms energy: -449.891422
where:
bonds (distance) C4'-P energy: -94.397
bonds (distance) P-C4' energy: -93.152
flat angles C4'-P-C4' energy: -106.054
flat angles P-C4'-P energy: -65.731
tors. eta vs tors. theta energy: -90.557
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: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1366.544768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.544768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.544768 (E_RNA)
where:
Base-Base interactions energy: -952.015
where: short stacking energy: -388.123
Base-Backbone interact. energy: -1.292
local terms energy: -413.237920
where:
bonds (distance) C4'-P energy: -82.305
bonds (distance) P-C4' energy: -88.258
flat angles C4'-P-C4' energy: -89.298
flat angles P-C4'-P energy: -68.598
tors. eta vs tors. theta energy: -84.779
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: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1297.761427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.761427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.761427 (E_RNA)
where:
Base-Base interactions energy: -898.937
where: short stacking energy: -354.376
Base-Backbone interact. energy: -2.384
local terms energy: -396.439503
where:
bonds (distance) C4'-P energy: -79.299
bonds (distance) P-C4' energy: -76.750
flat angles C4'-P-C4' energy: -98.777
flat angles P-C4'-P energy: -56.871
tors. eta vs tors. theta energy: -84.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -998.921905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.921905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.921905 (E_RNA)
where:
Base-Base interactions energy: -656.616
where: short stacking energy: -316.577
Base-Backbone interact. energy: 4.773
local terms energy: -347.078938
where:
bonds (distance) C4'-P energy: -72.268
bonds (distance) P-C4' energy: -81.590
flat angles C4'-P-C4' energy: -83.127
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -71.132
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: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -653.474605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.474605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.474605 (E_RNA)
where:
Base-Base interactions energy: -382.033
where: short stacking energy: -221.804
Base-Backbone interact. energy: 0.959
local terms energy: -272.400990
where:
bonds (distance) C4'-P energy: -63.640
bonds (distance) P-C4' energy: -66.619
flat angles C4'-P-C4' energy: -69.158
flat angles P-C4'-P energy: -46.399
tors. eta vs tors. theta energy: -26.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1833.889761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.889761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.889761 (E_RNA)
where:
Base-Base interactions energy: -1286.710
where: short stacking energy: -542.652
Base-Backbone interact. energy: 0.725
local terms energy: -547.904665
where:
bonds (distance) C4'-P energy: -105.553
bonds (distance) P-C4' energy: -99.405
flat angles C4'-P-C4' energy: -119.879
flat angles P-C4'-P energy: -78.897
tors. eta vs tors. theta energy: -144.169
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: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1784.379716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.379716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.379716 (E_RNA)
where:
Base-Base interactions energy: -1252.270
where: short stacking energy: -502.547
Base-Backbone interact. energy: -4.137
local terms energy: -527.972304
where:
bonds (distance) C4'-P energy: -91.422
bonds (distance) P-C4' energy: -94.004
flat angles C4'-P-C4' energy: -120.811
flat angles P-C4'-P energy: -74.100
tors. eta vs tors. theta energy: -147.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1673.645128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.645128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.645128 (E_RNA)
where:
Base-Base interactions energy: -1194.712
where: short stacking energy: -452.507
Base-Backbone interact. energy: -1.995
local terms energy: -476.938153
where:
bonds (distance) C4'-P energy: -81.186
bonds (distance) P-C4' energy: -90.410
flat angles C4'-P-C4' energy: -105.100
flat angles P-C4'-P energy: -79.467
tors. eta vs tors. theta energy: -120.775
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: 4, replica: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1619.776770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.776770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.776770 (E_RNA)
where:
Base-Base interactions energy: -1126.262
where: short stacking energy: -455.187
Base-Backbone interact. energy: -3.412
local terms energy: -490.102416
where:
bonds (distance) C4'-P energy: -90.897
bonds (distance) P-C4' energy: -92.812
flat angles C4'-P-C4' energy: -108.779
flat angles P-C4'-P energy: -70.133
tors. eta vs tors. theta energy: -127.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1547.495511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.495511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.495511 (E_RNA)
where:
Base-Base interactions energy: -1067.438
where: short stacking energy: -431.795
Base-Backbone interact. energy: 1.597
local terms energy: -481.654041
where:
bonds (distance) C4'-P energy: -87.620
bonds (distance) P-C4' energy: -98.993
flat angles C4'-P-C4' energy: -106.566
flat angles P-C4'-P energy: -76.588
tors. eta vs tors. theta energy: -111.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1349.370784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.370784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.370784 (E_RNA)
where:
Base-Base interactions energy: -899.665
where: short stacking energy: -388.969
Base-Backbone interact. energy: -1.645
local terms energy: -448.061055
where:
bonds (distance) C4'-P energy: -97.651
bonds (distance) P-C4' energy: -88.602
flat angles C4'-P-C4' energy: -97.243
flat angles P-C4'-P energy: -67.972
tors. eta vs tors. theta energy: -96.592
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: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1351.906525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.906525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.906525 (E_RNA)
where:
Base-Base interactions energy: -951.866
where: short stacking energy: -388.253
Base-Backbone interact. energy: 0.805
local terms energy: -400.845480
where:
bonds (distance) C4'-P energy: -82.198
bonds (distance) P-C4' energy: -84.108
flat angles C4'-P-C4' energy: -96.246
flat angles P-C4'-P energy: -47.472
tors. eta vs tors. theta energy: -90.820
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: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1343.946751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.946751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.946751 (E_RNA)
where:
Base-Base interactions energy: -916.952
where: short stacking energy: -367.379
Base-Backbone interact. energy: 0.438
local terms energy: -427.432834
where:
bonds (distance) C4'-P energy: -84.338
bonds (distance) P-C4' energy: -77.965
flat angles C4'-P-C4' energy: -97.732
flat angles P-C4'-P energy: -80.229
tors. eta vs tors. theta energy: -87.168
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: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1010.060873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.060873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.060873 (E_RNA)
where:
Base-Base interactions energy: -663.341
where: short stacking energy: -299.016
Base-Backbone interact. energy: 0.436
local terms energy: -347.155619
where:
bonds (distance) C4'-P energy: -68.953
bonds (distance) P-C4' energy: -87.012
flat angles C4'-P-C4' energy: -77.404
flat angles P-C4'-P energy: -59.522
tors. eta vs tors. theta energy: -54.264
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: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -637.248470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.248470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.248470 (E_RNA)
where:
Base-Base interactions energy: -343.262
where: short stacking energy: -208.903
Base-Backbone interact. energy: 0.142
local terms energy: -294.128005
where:
bonds (distance) C4'-P energy: -83.889
bonds (distance) P-C4' energy: -78.062
flat angles C4'-P-C4' energy: -52.655
flat angles P-C4'-P energy: -48.292
tors. eta vs tors. theta energy: -31.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1819.256852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.256852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.256852 (E_RNA)
where:
Base-Base interactions energy: -1285.960
where: short stacking energy: -533.060
Base-Backbone interact. energy: -2.429
local terms energy: -530.868586
where:
bonds (distance) C4'-P energy: -96.967
bonds (distance) P-C4' energy: -81.066
flat angles C4'-P-C4' energy: -112.343
flat angles P-C4'-P energy: -91.113
tors. eta vs tors. theta energy: -149.380
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: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1809.882647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.882647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.882647 (E_RNA)
where:
Base-Base interactions energy: -1278.999
where: short stacking energy: -499.657
Base-Backbone interact. energy: -3.731
local terms energy: -527.152663
where:
bonds (distance) C4'-P energy: -99.894
bonds (distance) P-C4' energy: -108.630
flat angles C4'-P-C4' energy: -116.368
flat angles P-C4'-P energy: -66.550
tors. eta vs tors. theta energy: -135.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1697.380969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.380969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.380969 (E_RNA)
where:
Base-Base interactions energy: -1202.584
where: short stacking energy: -495.169
Base-Backbone interact. energy: -2.774
local terms energy: -492.023013
where:
bonds (distance) C4'-P energy: -90.560
bonds (distance) P-C4' energy: -83.186
flat angles C4'-P-C4' energy: -117.301
flat angles P-C4'-P energy: -69.566
tors. eta vs tors. theta energy: -131.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1602.883673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.883673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.883673 (E_RNA)
where:
Base-Base interactions energy: -1120.622
where: short stacking energy: -464.163
Base-Backbone interact. energy: -0.988
local terms energy: -481.273730
where:
bonds (distance) C4'-P energy: -79.116
bonds (distance) P-C4' energy: -102.254
flat angles C4'-P-C4' energy: -102.793
flat angles P-C4'-P energy: -69.856
tors. eta vs tors. theta energy: -127.256
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: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1570.352839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.352839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.352839 (E_RNA)
where:
Base-Base interactions energy: -1077.948
where: short stacking energy: -455.812
Base-Backbone interact. energy: 1.137
local terms energy: -493.541234
where:
bonds (distance) C4'-P energy: -93.803
bonds (distance) P-C4' energy: -98.854
flat angles C4'-P-C4' energy: -106.118
flat angles P-C4'-P energy: -70.096
tors. eta vs tors. theta energy: -124.671
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: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1407.979380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.979380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.979380 (E_RNA)
where:
Base-Base interactions energy: -936.193
where: short stacking energy: -421.388
Base-Backbone interact. energy: -1.244
local terms energy: -470.542088
where:
bonds (distance) C4'-P energy: -81.953
bonds (distance) P-C4' energy: -110.608
flat angles C4'-P-C4' energy: -101.788
flat angles P-C4'-P energy: -62.954
tors. eta vs tors. theta energy: -113.239
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: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1355.610723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.610723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.610723 (E_RNA)
where:
Base-Base interactions energy: -932.646
where: short stacking energy: -395.047
Base-Backbone interact. energy: 2.031
local terms energy: -424.995632
where:
bonds (distance) C4'-P energy: -93.201
bonds (distance) P-C4' energy: -93.795
flat angles C4'-P-C4' energy: -95.737
flat angles P-C4'-P energy: -63.536
tors. eta vs tors. theta energy: -78.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1312.376871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.376871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.376871 (E_RNA)
where:
Base-Base interactions energy: -890.708
where: short stacking energy: -382.370
Base-Backbone interact. energy: -2.606
local terms energy: -419.062986
where:
bonds (distance) C4'-P energy: -82.736
bonds (distance) P-C4' energy: -83.857
flat angles C4'-P-C4' energy: -94.832
flat angles P-C4'-P energy: -59.984
tors. eta vs tors. theta energy: -97.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1039.942932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.942932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.942932 (E_RNA)
where:
Base-Base interactions energy: -679.140
where: short stacking energy: -289.083
Base-Backbone interact. energy: -2.771
local terms energy: -358.031103
where:
bonds (distance) C4'-P energy: -87.127
bonds (distance) P-C4' energy: -88.049
flat angles C4'-P-C4' energy: -80.468
flat angles P-C4'-P energy: -53.039
tors. eta vs tors. theta energy: -49.347
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: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -640.257287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.257287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.257287 (E_RNA)
where:
Base-Base interactions energy: -320.056
where: short stacking energy: -180.463
Base-Backbone interact. energy: 2.114
local terms energy: -322.314774
where:
bonds (distance) C4'-P energy: -103.217
bonds (distance) P-C4' energy: -67.092
flat angles C4'-P-C4' energy: -93.402
flat angles P-C4'-P energy: -45.264
tors. eta vs tors. theta energy: -13.340
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: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1824.142203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.142203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.142203 (E_RNA)
where:
Base-Base interactions energy: -1267.352
where: short stacking energy: -505.231
Base-Backbone interact. energy: -2.054
local terms energy: -554.735747
where:
bonds (distance) C4'-P energy: -99.729
bonds (distance) P-C4' energy: -100.439
flat angles C4'-P-C4' energy: -119.680
flat angles P-C4'-P energy: -88.009
tors. eta vs tors. theta energy: -146.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1779.377578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.377578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.377578 (E_RNA)
where:
Base-Base interactions energy: -1282.752
where: short stacking energy: -501.043
Base-Backbone interact. energy: -2.317
local terms energy: -494.307947
where:
bonds (distance) C4'-P energy: -90.620
bonds (distance) P-C4' energy: -93.410
flat angles C4'-P-C4' energy: -108.188
flat angles P-C4'-P energy: -71.393
tors. eta vs tors. theta energy: -130.696
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: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1727.316963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.316963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.316963 (E_RNA)
where:
Base-Base interactions energy: -1202.748
where: short stacking energy: -493.863
Base-Backbone interact. energy: 2.805
local terms energy: -527.374715
where:
bonds (distance) C4'-P energy: -99.754
bonds (distance) P-C4' energy: -105.489
flat angles C4'-P-C4' energy: -113.493
flat angles P-C4'-P energy: -78.428
tors. eta vs tors. theta energy: -130.210
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: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1642.265251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.265251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.265251 (E_RNA)
where:
Base-Base interactions energy: -1136.879
where: short stacking energy: -471.496
Base-Backbone interact. energy: -0.404
local terms energy: -504.981804
where:
bonds (distance) C4'-P energy: -105.934
bonds (distance) P-C4' energy: -81.946
flat angles C4'-P-C4' energy: -104.646
flat angles P-C4'-P energy: -78.387
tors. eta vs tors. theta energy: -134.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1569.158090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.158090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.158090 (E_RNA)
where:
Base-Base interactions energy: -1095.946
where: short stacking energy: -448.724
Base-Backbone interact. energy: 3.099
local terms energy: -476.311083
where:
bonds (distance) C4'-P energy: -102.251
bonds (distance) P-C4' energy: -82.844
flat angles C4'-P-C4' energy: -105.266
flat angles P-C4'-P energy: -67.983
tors. eta vs tors. theta energy: -117.967
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: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1447.384988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.384988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.384988 (E_RNA)
where:
Base-Base interactions energy: -1013.176
where: short stacking energy: -413.906
Base-Backbone interact. energy: 1.233
local terms energy: -435.442383
where:
bonds (distance) C4'-P energy: -74.973
bonds (distance) P-C4' energy: -97.954
flat angles C4'-P-C4' energy: -100.009
flat angles P-C4'-P energy: -52.599
tors. eta vs tors. theta energy: -109.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1375.535313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.535313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.535313 (E_RNA)
where:
Base-Base interactions energy: -971.225
where: short stacking energy: -381.608
Base-Backbone interact. energy: -1.160
local terms energy: -403.150545
where:
bonds (distance) C4'-P energy: -66.920
bonds (distance) P-C4' energy: -89.326
flat angles C4'-P-C4' energy: -101.026
flat angles P-C4'-P energy: -60.693
tors. eta vs tors. theta energy: -85.186
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: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1283.721176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.721176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.721176 (E_RNA)
where:
Base-Base interactions energy: -909.314
where: short stacking energy: -389.191
Base-Backbone interact. energy: 6.793
local terms energy: -381.200350
where:
bonds (distance) C4'-P energy: -78.290
bonds (distance) P-C4' energy: -79.737
flat angles C4'-P-C4' energy: -93.876
flat angles P-C4'-P energy: -44.049
tors. eta vs tors. theta energy: -85.249
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: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1061.462031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.462031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.462031 (E_RNA)
where:
Base-Base interactions energy: -683.831
where: short stacking energy: -291.292
Base-Backbone interact. energy: -3.856
local terms energy: -373.775020
where:
bonds (distance) C4'-P energy: -76.529
bonds (distance) P-C4' energy: -104.608
flat angles C4'-P-C4' energy: -79.806
flat angles P-C4'-P energy: -51.747
tors. eta vs tors. theta energy: -61.085
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: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -616.390598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.390598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.390598 (E_RNA)
where:
Base-Base interactions energy: -311.172
where: short stacking energy: -173.214
Base-Backbone interact. energy: -2.235
local terms energy: -302.983919
where:
bonds (distance) C4'-P energy: -63.855
bonds (distance) P-C4' energy: -98.250
flat angles C4'-P-C4' energy: -74.002
flat angles P-C4'-P energy: -48.395
tors. eta vs tors. theta energy: -18.482
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: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1832.122608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.122608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.122608 (E_RNA)
where:
Base-Base interactions energy: -1282.109
where: short stacking energy: -521.919
Base-Backbone interact. energy: -5.022
local terms energy: -544.991567
where:
bonds (distance) C4'-P energy: -105.153
bonds (distance) P-C4' energy: -98.236
flat angles C4'-P-C4' energy: -116.903
flat angles P-C4'-P energy: -72.628
tors. eta vs tors. theta energy: -152.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1778.586966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.586966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.586966 (E_RNA)
where:
Base-Base interactions energy: -1258.938
where: short stacking energy: -508.908
Base-Backbone interact. energy: -4.094
local terms energy: -515.555903
where:
bonds (distance) C4'-P energy: -99.876
bonds (distance) P-C4' energy: -105.702
flat angles C4'-P-C4' energy: -120.027
flat angles P-C4'-P energy: -67.499
tors. eta vs tors. theta energy: -122.452
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: 84
Temperature: 1.000000
Total energy: -1686.187164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.187164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.187164 (E_RNA)
where:
Base-Base interactions energy: -1193.374
where: short stacking energy: -475.360
Base-Backbone interact. energy: -0.634
local terms energy: -492.179363
where:
bonds (distance) C4'-P energy: -86.564
bonds (distance) P-C4' energy: -112.453
flat angles C4'-P-C4' energy: -104.443
flat angles P-C4'-P energy: -68.946
tors. eta vs tors. theta energy: -119.774
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: 84
Temperature: 1.050000
Total energy: -1614.591264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.591264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.591264 (E_RNA)
where:
Base-Base interactions energy: -1132.737
where: short stacking energy: -456.207
Base-Backbone interact. energy: -2.150
local terms energy: -479.704584
where:
bonds (distance) C4'-P energy: -68.777
bonds (distance) P-C4' energy: -94.194
flat angles C4'-P-C4' energy: -110.856
flat angles P-C4'-P energy: -80.154
tors. eta vs tors. theta energy: -125.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1594.861402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.861402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.861402 (E_RNA)
where:
Base-Base interactions energy: -1107.883
where: short stacking energy: -470.668
Base-Backbone interact. energy: -0.051
local terms energy: -486.927721
where:
bonds (distance) C4'-P energy: -93.796
bonds (distance) P-C4' energy: -105.142
flat angles C4'-P-C4' energy: -101.140
flat angles P-C4'-P energy: -61.943
tors. eta vs tors. theta energy: -124.907
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: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1479.641212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.641212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.641212 (E_RNA)
where:
Base-Base interactions energy: -1015.616
where: short stacking energy: -444.595
Base-Backbone interact. energy: -2.103
local terms energy: -461.921927
where:
bonds (distance) C4'-P energy: -78.854
bonds (distance) P-C4' energy: -93.242
flat angles C4'-P-C4' energy: -103.207
flat angles P-C4'-P energy: -66.451
tors. eta vs tors. theta energy: -120.168
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: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1338.354569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.354569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.354569 (E_RNA)
where:
Base-Base interactions energy: -931.024
where: short stacking energy: -393.927
Base-Backbone interact. energy: -2.078
local terms energy: -405.252959
where:
bonds (distance) C4'-P energy: -77.650
bonds (distance) P-C4' energy: -95.747
flat angles C4'-P-C4' energy: -85.989
flat angles P-C4'-P energy: -58.226
tors. eta vs tors. theta energy: -87.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1284.256021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.256021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.256021 (E_RNA)
where:
Base-Base interactions energy: -913.722
where: short stacking energy: -342.584
Base-Backbone interact. energy: -0.274
local terms energy: -370.260523
where:
bonds (distance) C4'-P energy: -68.643
bonds (distance) P-C4' energy: -89.579
flat angles C4'-P-C4' energy: -82.952
flat angles P-C4'-P energy: -48.656
tors. eta vs tors. theta energy: -80.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1035.101209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.101209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.101209 (E_RNA)
where:
Base-Base interactions energy: -677.023
where: short stacking energy: -296.517
Base-Backbone interact. energy: 2.077
local terms energy: -360.155869
where:
bonds (distance) C4'-P energy: -90.075
bonds (distance) P-C4' energy: -90.450
flat angles C4'-P-C4' energy: -86.952
flat angles P-C4'-P energy: -40.759
tors. eta vs tors. theta energy: -51.919
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: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -618.038842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.038842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.038842 (E_RNA)
where:
Base-Base interactions energy: -326.969
where: short stacking energy: -168.260
Base-Backbone interact. energy: 0.854
local terms energy: -291.924639
where:
bonds (distance) C4'-P energy: -68.649
bonds (distance) P-C4' energy: -89.839
flat angles C4'-P-C4' energy: -80.860
flat angles P-C4'-P energy: -48.008
tors. eta vs tors. theta energy: -4.569
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: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1835.153824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.153824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.153824 (E_RNA)
where:
Base-Base interactions energy: -1290.011
where: short stacking energy: -524.093
Base-Backbone interact. energy: -2.468
local terms energy: -542.674761
where:
bonds (distance) C4'-P energy: -109.777
bonds (distance) P-C4' energy: -103.338
flat angles C4'-P-C4' energy: -109.578
flat angles P-C4'-P energy: -85.256
tors. eta vs tors. theta energy: -134.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1759.646376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.646376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.646376 (E_RNA)
where:
Base-Base interactions energy: -1246.051
where: short stacking energy: -468.556
Base-Backbone interact. energy: -1.630
local terms energy: -511.965423
where:
bonds (distance) C4'-P energy: -103.252
bonds (distance) P-C4' energy: -97.580
flat angles C4'-P-C4' energy: -113.812
flat angles P-C4'-P energy: -70.653
tors. eta vs tors. theta energy: -126.668
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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1721.507852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.507852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.507852 (E_RNA)
where:
Base-Base interactions energy: -1243.035
where: short stacking energy: -504.454
Base-Backbone interact. energy: -2.039
local terms energy: -476.434073
where:
bonds (distance) C4'-P energy: -88.748
bonds (distance) P-C4' energy: -81.957
flat angles C4'-P-C4' energy: -112.401
flat angles P-C4'-P energy: -67.294
tors. eta vs tors. theta energy: -126.034
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: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1610.798251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.798251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.798251 (E_RNA)
where:
Base-Base interactions energy: -1126.552
where: short stacking energy: -461.875
Base-Backbone interact. energy: 3.594
local terms energy: -487.840621
where:
bonds (distance) C4'-P energy: -96.263
bonds (distance) P-C4' energy: -108.888
flat angles C4'-P-C4' energy: -98.419
flat angles P-C4'-P energy: -68.285
tors. eta vs tors. theta energy: -115.986
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: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1558.182212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.182212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.182212 (E_RNA)
where:
Base-Base interactions energy: -1074.514
where: short stacking energy: -436.825
Base-Backbone interact. energy: -0.447
local terms energy: -483.221884
where:
bonds (distance) C4'-P energy: -95.953
bonds (distance) P-C4' energy: -93.727
flat angles C4'-P-C4' energy: -94.388
flat angles P-C4'-P energy: -81.168
tors. eta vs tors. theta energy: -117.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1525.333975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.333975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.333975 (E_RNA)
where:
Base-Base interactions energy: -1048.954
where: short stacking energy: -451.711
Base-Backbone interact. energy: -1.581
local terms energy: -474.798671
where:
bonds (distance) C4'-P energy: -80.159
bonds (distance) P-C4' energy: -83.677
flat angles C4'-P-C4' energy: -104.440
flat angles P-C4'-P energy: -77.646
tors. eta vs tors. theta energy: -128.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1376.054730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.054730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.054730 (E_RNA)
where:
Base-Base interactions energy: -945.103
where: short stacking energy: -384.837
Base-Backbone interact. energy: -3.505
local terms energy: -427.447247
where:
bonds (distance) C4'-P energy: -90.062
bonds (distance) P-C4' energy: -82.535
flat angles C4'-P-C4' energy: -100.197
flat angles P-C4'-P energy: -61.382
tors. eta vs tors. theta energy: -93.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1286.091357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.091357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.091357 (E_RNA)
where:
Base-Base interactions energy: -894.869
where: short stacking energy: -375.769
Base-Backbone interact. energy: 0.350
local terms energy: -391.572337
where:
bonds (distance) C4'-P energy: -96.804
bonds (distance) P-C4' energy: -81.996
flat angles C4'-P-C4' energy: -78.841
flat angles P-C4'-P energy: -54.533
tors. eta vs tors. theta energy: -79.398
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: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -991.342703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.342703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.342703 (E_RNA)
where:
Base-Base interactions energy: -638.910
where: short stacking energy: -266.111
Base-Backbone interact. energy: 4.076
local terms energy: -356.509140
where:
bonds (distance) C4'-P energy: -97.423
bonds (distance) P-C4' energy: -87.339
flat angles C4'-P-C4' energy: -83.939
flat angles P-C4'-P energy: -39.082
tors. eta vs tors. theta energy: -48.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -644.012167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.012167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.012167 (E_RNA)
where:
Base-Base interactions energy: -351.062
where: short stacking energy: -164.587
Base-Backbone interact. energy: -1.757
local terms energy: -291.192551
where:
bonds (distance) C4'-P energy: -80.653
bonds (distance) P-C4' energy: -91.079
flat angles C4'-P-C4' energy: -79.131
flat angles P-C4'-P energy: -40.719
tors. eta vs tors. theta energy: 0.389
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: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1818.189041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.189041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.189041 (E_RNA)
where:
Base-Base interactions energy: -1274.483
where: short stacking energy: -533.969
Base-Backbone interact. energy: -0.569
local terms energy: -543.137030
where:
bonds (distance) C4'-P energy: -105.170
bonds (distance) P-C4' energy: -98.606
flat angles C4'-P-C4' energy: -110.615
flat angles P-C4'-P energy: -81.149
tors. eta vs tors. theta energy: -147.598
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1767.052978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.052978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.052978 (E_RNA)
where:
Base-Base interactions energy: -1253.406
where: short stacking energy: -517.563
Base-Backbone interact. energy: -3.354
local terms energy: -510.293197
where:
bonds (distance) C4'-P energy: -90.805
bonds (distance) P-C4' energy: -103.938
flat angles C4'-P-C4' energy: -103.638
flat angles P-C4'-P energy: -78.782
tors. eta vs tors. theta energy: -133.130
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: 86
Temperature: 1.000000
Total energy: -1725.234088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.234088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.234088 (E_RNA)
where:
Base-Base interactions energy: -1211.822
where: short stacking energy: -467.309
Base-Backbone interact. energy: 3.819
local terms energy: -517.230644
where:
bonds (distance) C4'-P energy: -94.699
bonds (distance) P-C4' energy: -103.293
flat angles C4'-P-C4' energy: -118.139
flat angles P-C4'-P energy: -79.624
tors. eta vs tors. theta energy: -121.476
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: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1616.073849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.073849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.073849 (E_RNA)
where:
Base-Base interactions energy: -1129.339
where: short stacking energy: -462.002
Base-Backbone interact. energy: 0.542
local terms energy: -487.276810
where:
bonds (distance) C4'-P energy: -89.576
bonds (distance) P-C4' energy: -100.448
flat angles C4'-P-C4' energy: -100.981
flat angles P-C4'-P energy: -74.888
tors. eta vs tors. theta energy: -121.383
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: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1554.421874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.421874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.421874 (E_RNA)
where:
Base-Base interactions energy: -1107.190
where: short stacking energy: -445.810
Base-Backbone interact. energy: -2.729
local terms energy: -444.503102
where:
bonds (distance) C4'-P energy: -81.699
bonds (distance) P-C4' energy: -98.464
flat angles C4'-P-C4' energy: -99.536
flat angles P-C4'-P energy: -52.600
tors. eta vs tors. theta energy: -112.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1499.986463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.986463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.986463 (E_RNA)
where:
Base-Base interactions energy: -1034.041
where: short stacking energy: -452.354
Base-Backbone interact. energy: -1.768
local terms energy: -464.176913
where:
bonds (distance) C4'-P energy: -82.951
bonds (distance) P-C4' energy: -91.314
flat angles C4'-P-C4' energy: -98.589
flat angles P-C4'-P energy: -60.598
tors. eta vs tors. theta energy: -130.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1391.321423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.321423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.321423 (E_RNA)
where:
Base-Base interactions energy: -960.004
where: short stacking energy: -387.641
Base-Backbone interact. energy: -1.261
local terms energy: -430.055913
where:
bonds (distance) C4'-P energy: -81.911
bonds (distance) P-C4' energy: -75.596
flat angles C4'-P-C4' energy: -97.606
flat angles P-C4'-P energy: -74.002
tors. eta vs tors. theta energy: -100.941
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: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1304.787539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.787539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.787539 (E_RNA)
where:
Base-Base interactions energy: -888.354
where: short stacking energy: -380.991
Base-Backbone interact. energy: -0.905
local terms energy: -415.528646
where:
bonds (distance) C4'-P energy: -68.413
bonds (distance) P-C4' energy: -87.643
flat angles C4'-P-C4' energy: -112.347
flat angles P-C4'-P energy: -69.330
tors. eta vs tors. theta energy: -77.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -965.204995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.204995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.204995 (E_RNA)
where:
Base-Base interactions energy: -610.936
where: short stacking energy: -280.746
Base-Backbone interact. energy: -1.440
local terms energy: -352.829744
where:
bonds (distance) C4'-P energy: -99.476
bonds (distance) P-C4' energy: -77.845
flat angles C4'-P-C4' energy: -79.835
flat angles P-C4'-P energy: -40.412
tors. eta vs tors. theta energy: -55.261
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: 86
Temperature: 1.350000
Total energy: -604.942341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.942341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.942341 (E_RNA)
where:
Base-Base interactions energy: -319.101
where: short stacking energy: -179.651
Base-Backbone interact. energy: -1.958
local terms energy: -283.883428
where:
bonds (distance) C4'-P energy: -85.906
bonds (distance) P-C4' energy: -94.188
flat angles C4'-P-C4' energy: -62.162
flat angles P-C4'-P energy: -39.108
tors. eta vs tors. theta energy: -2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1824.609527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.609527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.609527 (E_RNA)
where:
Base-Base interactions energy: -1266.765
where: short stacking energy: -524.799
Base-Backbone interact. energy: -3.310
local terms energy: -554.533916
where:
bonds (distance) C4'-P energy: -107.832
bonds (distance) P-C4' energy: -106.123
flat angles C4'-P-C4' energy: -108.326
flat angles P-C4'-P energy: -83.423
tors. eta vs tors. theta energy: -148.830
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: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1794.309376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.309376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.309376 (E_RNA)
where:
Base-Base interactions energy: -1276.780
where: short stacking energy: -516.403
Base-Backbone interact. energy: -2.377
local terms energy: -515.152216
where:
bonds (distance) C4'-P energy: -94.141
bonds (distance) P-C4' energy: -100.237
flat angles C4'-P-C4' energy: -114.504
flat angles P-C4'-P energy: -70.612
tors. eta vs tors. theta energy: -135.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1746.603677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.603677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.603677 (E_RNA)
where:
Base-Base interactions energy: -1237.750
where: short stacking energy: -499.531
Base-Backbone interact. energy: -1.211
local terms energy: -507.642681
where:
bonds (distance) C4'-P energy: -90.219
bonds (distance) P-C4' energy: -99.398
flat angles C4'-P-C4' energy: -113.696
flat angles P-C4'-P energy: -64.610
tors. eta vs tors. theta energy: -139.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1627.089850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.089850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.089850 (E_RNA)
where:
Base-Base interactions energy: -1136.959
where: short stacking energy: -449.004
Base-Backbone interact. energy: 0.528
local terms energy: -490.658716
where:
bonds (distance) C4'-P energy: -97.210
bonds (distance) P-C4' energy: -96.361
flat angles C4'-P-C4' energy: -103.033
flat angles P-C4'-P energy: -75.928
tors. eta vs tors. theta energy: -118.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1547.301528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.301528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.301528 (E_RNA)
where:
Base-Base interactions energy: -1076.611
where: short stacking energy: -441.185
Base-Backbone interact. energy: 7.313
local terms energy: -478.003891
where:
bonds (distance) C4'-P energy: -84.632
bonds (distance) P-C4' energy: -90.380
flat angles C4'-P-C4' energy: -111.208
flat angles P-C4'-P energy: -76.913
tors. eta vs tors. theta energy: -114.871
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: 6, replica: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1490.219915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.219915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.219915 (E_RNA)
where:
Base-Base interactions energy: -1027.486
where: short stacking energy: -414.398
Base-Backbone interact. energy: -0.681
local terms energy: -462.052328
where:
bonds (distance) C4'-P energy: -97.165
bonds (distance) P-C4' energy: -96.075
flat angles C4'-P-C4' energy: -96.105
flat angles P-C4'-P energy: -61.211
tors. eta vs tors. theta energy: -111.495
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: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1383.796388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.796388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.796388 (E_RNA)
where:
Base-Base interactions energy: -949.339
where: short stacking energy: -386.836
Base-Backbone interact. energy: -3.000
local terms energy: -431.456776
where:
bonds (distance) C4'-P energy: -71.256
bonds (distance) P-C4' energy: -99.855
flat angles C4'-P-C4' energy: -102.298
flat angles P-C4'-P energy: -59.269
tors. eta vs tors. theta energy: -98.779
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: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1316.933784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.933784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.933784 (E_RNA)
where:
Base-Base interactions energy: -914.303
where: short stacking energy: -374.415
Base-Backbone interact. energy: -2.020
local terms energy: -400.611377
where:
bonds (distance) C4'-P energy: -82.980
bonds (distance) P-C4' energy: -92.117
flat angles C4'-P-C4' energy: -84.205
flat angles P-C4'-P energy: -60.062
tors. eta vs tors. theta energy: -81.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -943.866717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.866717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.866717 (E_RNA)
where:
Base-Base interactions energy: -593.311
where: short stacking energy: -274.617
Base-Backbone interact. energy: 3.636
local terms energy: -354.191950
where:
bonds (distance) C4'-P energy: -78.272
bonds (distance) P-C4' energy: -88.351
flat angles C4'-P-C4' energy: -90.502
flat angles P-C4'-P energy: -44.330
tors. eta vs tors. theta energy: -52.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -642.091319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.091319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.091319 (E_RNA)
where:
Base-Base interactions energy: -391.822
where: short stacking energy: -211.002
Base-Backbone interact. energy: 4.460
local terms energy: -254.729818
where:
bonds (distance) C4'-P energy: -59.652
bonds (distance) P-C4' energy: -63.315
flat angles C4'-P-C4' energy: -76.739
flat angles P-C4'-P energy: -44.850
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1802.483754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.483754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.483754 (E_RNA)
where:
Base-Base interactions energy: -1264.151
where: short stacking energy: -509.800
Base-Backbone interact. energy: -3.355
local terms energy: -534.977132
where:
bonds (distance) C4'-P energy: -98.999
bonds (distance) P-C4' energy: -114.425
flat angles C4'-P-C4' energy: -112.796
flat angles P-C4'-P energy: -65.025
tors. eta vs tors. theta energy: -143.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1770.805810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.805810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.805810 (E_RNA)
where:
Base-Base interactions energy: -1250.613
where: short stacking energy: -483.656
Base-Backbone interact. energy: -2.723
local terms energy: -517.470010
where:
bonds (distance) C4'-P energy: -101.671
bonds (distance) P-C4' energy: -99.438
flat angles C4'-P-C4' energy: -120.293
flat angles P-C4'-P energy: -73.157
tors. eta vs tors. theta energy: -122.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1712.433340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.433340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.433340 (E_RNA)
where:
Base-Base interactions energy: -1199.146
where: short stacking energy: -493.171
Base-Backbone interact. energy: -2.900
local terms energy: -510.387147
where:
bonds (distance) C4'-P energy: -101.673
bonds (distance) P-C4' energy: -98.900
flat angles C4'-P-C4' energy: -109.257
flat angles P-C4'-P energy: -72.043
tors. eta vs tors. theta energy: -128.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1608.681803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.681803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.681803 (E_RNA)
where:
Base-Base interactions energy: -1128.672
where: short stacking energy: -481.320
Base-Backbone interact. energy: 5.540
local terms energy: -485.549420
where:
bonds (distance) C4'-P energy: -82.497
bonds (distance) P-C4' energy: -93.397
flat angles C4'-P-C4' energy: -101.728
flat angles P-C4'-P energy: -76.819
tors. eta vs tors. theta energy: -131.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1575.840332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.840332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.840332 (E_RNA)
where:
Base-Base interactions energy: -1124.879
where: short stacking energy: -456.878
Base-Backbone interact. energy: -0.398
local terms energy: -450.563724
where:
bonds (distance) C4'-P energy: -92.443
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -99.455
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -124.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1483.851159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.851159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.851159 (E_RNA)
where:
Base-Base interactions energy: -1033.786
where: short stacking energy: -433.684
Base-Backbone interact. energy: -1.036
local terms energy: -449.029082
where:
bonds (distance) C4'-P energy: -82.022
bonds (distance) P-C4' energy: -86.138
flat angles C4'-P-C4' energy: -96.369
flat angles P-C4'-P energy: -61.323
tors. eta vs tors. theta energy: -123.178
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: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1439.144364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.144364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.144364 (E_RNA)
where:
Base-Base interactions energy: -999.998
where: short stacking energy: -440.885
Base-Backbone interact. energy: 3.173
local terms energy: -442.318892
where:
bonds (distance) C4'-P energy: -75.891
bonds (distance) P-C4' energy: -81.934
flat angles C4'-P-C4' energy: -105.940
flat angles P-C4'-P energy: -67.880
tors. eta vs tors. theta energy: -110.675
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: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1310.662233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.662233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.662233 (E_RNA)
where:
Base-Base interactions energy: -900.708
where: short stacking energy: -369.767
Base-Backbone interact. energy: -2.849
local terms energy: -407.104698
where:
bonds (distance) C4'-P energy: -83.036
bonds (distance) P-C4' energy: -89.384
flat angles C4'-P-C4' energy: -87.553
flat angles P-C4'-P energy: -71.404
tors. eta vs tors. theta energy: -75.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -956.043435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.043435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.043435 (E_RNA)
where:
Base-Base interactions energy: -617.269
where: short stacking energy: -284.173
Base-Backbone interact. energy: -0.744
local terms energy: -338.030386
where:
bonds (distance) C4'-P energy: -79.609
bonds (distance) P-C4' energy: -49.329
flat angles C4'-P-C4' energy: -101.246
flat angles P-C4'-P energy: -49.226
tors. eta vs tors. theta energy: -58.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -638.083436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.083436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.083436 (E_RNA)
where:
Base-Base interactions energy: -354.196
where: short stacking energy: -185.741
Base-Backbone interact. energy: 0.488
local terms energy: -284.375201
where:
bonds (distance) C4'-P energy: -75.285
bonds (distance) P-C4' energy: -88.898
flat angles C4'-P-C4' energy: -64.353
flat angles P-C4'-P energy: -40.085
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1814.927407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.927407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.927407 (E_RNA)
where:
Base-Base interactions energy: -1298.944
where: short stacking energy: -534.592
Base-Backbone interact. energy: -1.474
local terms energy: -514.509929
where:
bonds (distance) C4'-P energy: -88.696
bonds (distance) P-C4' energy: -93.860
flat angles C4'-P-C4' energy: -110.785
flat angles P-C4'-P energy: -78.959
tors. eta vs tors. theta energy: -142.210
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: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1795.868585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.868585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.868585 (E_RNA)
where:
Base-Base interactions energy: -1277.064
where: short stacking energy: -493.490
Base-Backbone interact. energy: -5.044
local terms energy: -513.760526
where:
bonds (distance) C4'-P energy: -101.526
bonds (distance) P-C4' energy: -99.035
flat angles C4'-P-C4' energy: -107.233
flat angles P-C4'-P energy: -75.456
tors. eta vs tors. theta energy: -130.511
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: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1720.521815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.521815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.521815 (E_RNA)
where:
Base-Base interactions energy: -1221.098
where: short stacking energy: -486.123
Base-Backbone interact. energy: -3.374
local terms energy: -496.050352
where:
bonds (distance) C4'-P energy: -93.710
bonds (distance) P-C4' energy: -88.897
flat angles C4'-P-C4' energy: -109.406
flat angles P-C4'-P energy: -82.848
tors. eta vs tors. theta energy: -121.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1588.091023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.091023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.091023 (E_RNA)
where:
Base-Base interactions energy: -1093.309
where: short stacking energy: -456.506
Base-Backbone interact. energy: -1.803
local terms energy: -492.979078
where:
bonds (distance) C4'-P energy: -102.650
bonds (distance) P-C4' energy: -95.272
flat angles C4'-P-C4' energy: -102.202
flat angles P-C4'-P energy: -65.369
tors. eta vs tors. theta energy: -127.486
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: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1566.504779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.504779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.504779 (E_RNA)
where:
Base-Base interactions energy: -1082.102
where: short stacking energy: -440.958
Base-Backbone interact. energy: -2.619
local terms energy: -481.784139
where:
bonds (distance) C4'-P energy: -93.482
bonds (distance) P-C4' energy: -78.921
flat angles C4'-P-C4' energy: -117.101
flat angles P-C4'-P energy: -66.521
tors. eta vs tors. theta energy: -125.759
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: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1463.834490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.834490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.834490 (E_RNA)
where:
Base-Base interactions energy: -999.070
where: short stacking energy: -433.526
Base-Backbone interact. energy: 0.920
local terms energy: -465.683755
where:
bonds (distance) C4'-P energy: -84.954
bonds (distance) P-C4' energy: -92.211
flat angles C4'-P-C4' energy: -106.703
flat angles P-C4'-P energy: -76.848
tors. eta vs tors. theta energy: -104.968
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: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1426.167744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.167744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.167744 (E_RNA)
where:
Base-Base interactions energy: -998.003
where: short stacking energy: -413.792
Base-Backbone interact. energy: 0.782
local terms energy: -428.946436
where:
bonds (distance) C4'-P energy: -83.887
bonds (distance) P-C4' energy: -82.828
flat angles C4'-P-C4' energy: -97.554
flat angles P-C4'-P energy: -66.418
tors. eta vs tors. theta energy: -98.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1298.881849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.881849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.881849 (E_RNA)
where:
Base-Base interactions energy: -892.459
where: short stacking energy: -388.983
Base-Backbone interact. energy: -1.899
local terms energy: -404.523090
where:
bonds (distance) C4'-P energy: -79.317
bonds (distance) P-C4' energy: -95.416
flat angles C4'-P-C4' energy: -91.299
flat angles P-C4'-P energy: -63.884
tors. eta vs tors. theta energy: -74.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -935.498826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.498826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.498826 (E_RNA)
where:
Base-Base interactions energy: -590.067
where: short stacking energy: -266.342
Base-Backbone interact. energy: 1.042
local terms energy: -346.474480
where:
bonds (distance) C4'-P energy: -74.690
bonds (distance) P-C4' energy: -76.800
flat angles C4'-P-C4' energy: -83.263
flat angles P-C4'-P energy: -60.181
tors. eta vs tors. theta energy: -51.541
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: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -614.494423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.494423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.494423 (E_RNA)
where:
Base-Base interactions energy: -353.858
where: short stacking energy: -193.196
Base-Backbone interact. energy: 6.433
local terms energy: -267.069047
where:
bonds (distance) C4'-P energy: -75.055
bonds (distance) P-C4' energy: -62.893
flat angles C4'-P-C4' energy: -97.154
flat angles P-C4'-P energy: -27.222
tors. eta vs tors. theta energy: -4.745
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: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1827.082852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.082852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.082852 (E_RNA)
where:
Base-Base interactions energy: -1293.118
where: short stacking energy: -506.478
Base-Backbone interact. energy: -4.436
local terms energy: -529.528860
where:
bonds (distance) C4'-P energy: -107.071
bonds (distance) P-C4' energy: -109.695
flat angles C4'-P-C4' energy: -111.341
flat angles P-C4'-P energy: -69.837
tors. eta vs tors. theta energy: -131.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1753.433435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.433435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.433435 (E_RNA)
where:
Base-Base interactions energy: -1249.402
where: short stacking energy: -490.908
Base-Backbone interact. energy: -1.100
local terms energy: -502.931401
where:
bonds (distance) C4'-P energy: -89.797
bonds (distance) P-C4' energy: -99.673
flat angles C4'-P-C4' energy: -111.958
flat angles P-C4'-P energy: -73.512
tors. eta vs tors. theta energy: -127.992
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: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1678.052270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.052270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.052270 (E_RNA)
where:
Base-Base interactions energy: -1164.864
where: short stacking energy: -463.956
Base-Backbone interact. energy: -4.272
local terms energy: -508.915607
where:
bonds (distance) C4'-P energy: -99.944
bonds (distance) P-C4' energy: -100.852
flat angles C4'-P-C4' energy: -109.209
flat angles P-C4'-P energy: -74.647
tors. eta vs tors. theta energy: -124.263
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: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1619.122560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.122560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.122560 (E_RNA)
where:
Base-Base interactions energy: -1135.432
where: short stacking energy: -465.778
Base-Backbone interact. energy: -1.992
local terms energy: -481.697821
where:
bonds (distance) C4'-P energy: -99.117
bonds (distance) P-C4' energy: -87.892
flat angles C4'-P-C4' energy: -105.544
flat angles P-C4'-P energy: -66.484
tors. eta vs tors. theta energy: -122.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1557.198591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.198591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.198591 (E_RNA)
where:
Base-Base interactions energy: -1128.319
where: short stacking energy: -479.207
Base-Backbone interact. energy: 2.293
local terms energy: -431.173147
where:
bonds (distance) C4'-P energy: -79.001
bonds (distance) P-C4' energy: -89.219
flat angles C4'-P-C4' energy: -96.658
flat angles P-C4'-P energy: -54.295
tors. eta vs tors. theta energy: -112.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1468.885847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.885847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.885847 (E_RNA)
where:
Base-Base interactions energy: -994.928
where: short stacking energy: -419.439
Base-Backbone interact. energy: 0.010
local terms energy: -473.968371
where:
bonds (distance) C4'-P energy: -100.610
bonds (distance) P-C4' energy: -91.082
flat angles C4'-P-C4' energy: -113.613
flat angles P-C4'-P energy: -58.609
tors. eta vs tors. theta energy: -110.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1470.139750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.139750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.139750 (E_RNA)
where:
Base-Base interactions energy: -1010.578
where: short stacking energy: -410.827
Base-Backbone interact. energy: -0.173
local terms energy: -459.388485
where:
bonds (distance) C4'-P energy: -91.385
bonds (distance) P-C4' energy: -90.437
flat angles C4'-P-C4' energy: -96.883
flat angles P-C4'-P energy: -74.517
tors. eta vs tors. theta energy: -106.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1292.081670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.081670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.081670 (E_RNA)
where:
Base-Base interactions energy: -887.779
where: short stacking energy: -356.419
Base-Backbone interact. energy: -1.299
local terms energy: -403.003346
where:
bonds (distance) C4'-P energy: -78.500
bonds (distance) P-C4' energy: -83.486
flat angles C4'-P-C4' energy: -87.151
flat angles P-C4'-P energy: -73.049
tors. eta vs tors. theta energy: -80.816
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: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -987.574793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.574793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.574793 (E_RNA)
where:
Base-Base interactions energy: -629.760
where: short stacking energy: -265.337
Base-Backbone interact. energy: -0.022
local terms energy: -357.792675
where:
bonds (distance) C4'-P energy: -76.635
bonds (distance) P-C4' energy: -90.135
flat angles C4'-P-C4' energy: -101.869
flat angles P-C4'-P energy: -50.416
tors. eta vs tors. theta energy: -38.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -631.785198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.785198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.785198 (E_RNA)
where:
Base-Base interactions energy: -357.456
where: short stacking energy: -199.583
Base-Backbone interact. energy: -0.982
local terms energy: -273.347457
where:
bonds (distance) C4'-P energy: -86.102
bonds (distance) P-C4' energy: -86.690
flat angles C4'-P-C4' energy: -53.621
flat angles P-C4'-P energy: -35.105
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: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1821.707167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.707167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.707167 (E_RNA)
where:
Base-Base interactions energy: -1295.408
where: short stacking energy: -506.787
Base-Backbone interact. energy: -3.355
local terms energy: -522.944018
where:
bonds (distance) C4'-P energy: -102.015
bonds (distance) P-C4' energy: -100.423
flat angles C4'-P-C4' energy: -109.748
flat angles P-C4'-P energy: -77.835
tors. eta vs tors. theta energy: -132.923
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: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1753.834375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.834375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.834375 (E_RNA)
where:
Base-Base interactions energy: -1240.341
where: short stacking energy: -501.510
Base-Backbone interact. energy: -4.457
local terms energy: -509.036280
where:
bonds (distance) C4'-P energy: -96.271
bonds (distance) P-C4' energy: -88.282
flat angles C4'-P-C4' energy: -102.914
flat angles P-C4'-P energy: -78.688
tors. eta vs tors. theta energy: -142.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1697.184785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.184785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.184785 (E_RNA)
where:
Base-Base interactions energy: -1198.505
where: short stacking energy: -476.504
Base-Backbone interact. energy: -1.015
local terms energy: -497.665178
where:
bonds (distance) C4'-P energy: -93.919
bonds (distance) P-C4' energy: -101.988
flat angles C4'-P-C4' energy: -112.086
flat angles P-C4'-P energy: -64.573
tors. eta vs tors. theta energy: -125.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1611.874259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.874259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.874259 (E_RNA)
where:
Base-Base interactions energy: -1108.023
where: short stacking energy: -455.150
Base-Backbone interact. energy: -1.394
local terms energy: -502.457581
where:
bonds (distance) C4'-P energy: -111.109
bonds (distance) P-C4' energy: -96.274
flat angles C4'-P-C4' energy: -107.073
flat angles P-C4'-P energy: -66.791
tors. eta vs tors. theta energy: -121.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1558.494364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.494364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.494364 (E_RNA)
where:
Base-Base interactions energy: -1077.391
where: short stacking energy: -452.847
Base-Backbone interact. energy: -1.838
local terms energy: -479.265345
where:
bonds (distance) C4'-P energy: -94.235
bonds (distance) P-C4' energy: -99.725
flat angles C4'-P-C4' energy: -105.484
flat angles P-C4'-P energy: -64.840
tors. eta vs tors. theta energy: -114.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1477.408613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.408613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.408613 (E_RNA)
where:
Base-Base interactions energy: -1037.849
where: short stacking energy: -407.294
Base-Backbone interact. energy: -0.837
local terms energy: -438.722209
where:
bonds (distance) C4'-P energy: -76.379
bonds (distance) P-C4' energy: -81.791
flat angles C4'-P-C4' energy: -104.977
flat angles P-C4'-P energy: -61.564
tors. eta vs tors. theta energy: -114.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1416.392122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.392122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.392122 (E_RNA)
where:
Base-Base interactions energy: -969.749
where: short stacking energy: -406.198
Base-Backbone interact. energy: 4.788
local terms energy: -451.431435
where:
bonds (distance) C4'-P energy: -89.573
bonds (distance) P-C4' energy: -96.817
flat angles C4'-P-C4' energy: -93.147
flat angles P-C4'-P energy: -66.816
tors. eta vs tors. theta energy: -105.078
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: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1280.531580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.531580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.531580 (E_RNA)
where:
Base-Base interactions energy: -881.071
where: short stacking energy: -370.414
Base-Backbone interact. energy: 4.498
local terms energy: -403.958829
where:
bonds (distance) C4'-P energy: -88.003
bonds (distance) P-C4' energy: -92.685
flat angles C4'-P-C4' energy: -74.514
flat angles P-C4'-P energy: -54.243
tors. eta vs tors. theta energy: -94.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -961.155389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.155389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.155389 (E_RNA)
where:
Base-Base interactions energy: -608.256
where: short stacking energy: -263.812
Base-Backbone interact. energy: 4.420
local terms energy: -357.319723
where:
bonds (distance) C4'-P energy: -86.134
bonds (distance) P-C4' energy: -80.185
flat angles C4'-P-C4' energy: -83.619
flat angles P-C4'-P energy: -61.268
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: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -654.353507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.353507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.353507 (E_RNA)
where:
Base-Base interactions energy: -363.515
where: short stacking energy: -209.867
Base-Backbone interact. energy: -2.270
local terms energy: -288.568498
where:
bonds (distance) C4'-P energy: -82.623
bonds (distance) P-C4' energy: -78.423
flat angles C4'-P-C4' energy: -76.961
flat angles P-C4'-P energy: -42.742
tors. eta vs tors. theta energy: -7.820
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: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1819.638402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.638402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.638402 (E_RNA)
where:
Base-Base interactions energy: -1279.400
where: short stacking energy: -542.581
Base-Backbone interact. energy: -1.678
local terms energy: -538.560020
where:
bonds (distance) C4'-P energy: -106.398
bonds (distance) P-C4' energy: -111.985
flat angles C4'-P-C4' energy: -105.878
flat angles P-C4'-P energy: -73.564
tors. eta vs tors. theta energy: -140.735
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: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1788.576998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.576998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.576998 (E_RNA)
where:
Base-Base interactions energy: -1258.494
where: short stacking energy: -492.686
Base-Backbone interact. energy: 3.014
local terms energy: -533.097138
where:
bonds (distance) C4'-P energy: -102.305
bonds (distance) P-C4' energy: -108.803
flat angles C4'-P-C4' energy: -114.385
flat angles P-C4'-P energy: -80.231
tors. eta vs tors. theta energy: -127.374
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: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1740.406063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.406063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.406063 (E_RNA)
where:
Base-Base interactions energy: -1227.770
where: short stacking energy: -518.910
Base-Backbone interact. energy: -3.199
local terms energy: -509.436903
where:
bonds (distance) C4'-P energy: -100.803
bonds (distance) P-C4' energy: -98.429
flat angles C4'-P-C4' energy: -102.944
flat angles P-C4'-P energy: -78.353
tors. eta vs tors. theta energy: -128.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1573.701780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.701780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.701780 (E_RNA)
where:
Base-Base interactions energy: -1111.015
where: short stacking energy: -433.816
Base-Backbone interact. energy: -1.899
local terms energy: -460.787969
where:
bonds (distance) C4'-P energy: -80.860
bonds (distance) P-C4' energy: -94.440
flat angles C4'-P-C4' energy: -99.546
flat angles P-C4'-P energy: -69.163
tors. eta vs tors. theta energy: -116.778
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: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1594.340691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.340691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.340691 (E_RNA)
where:
Base-Base interactions energy: -1111.233
where: short stacking energy: -458.848
Base-Backbone interact. energy: -0.355
local terms energy: -482.752066
where:
bonds (distance) C4'-P energy: -93.987
bonds (distance) P-C4' energy: -87.035
flat angles C4'-P-C4' energy: -103.978
flat angles P-C4'-P energy: -77.514
tors. eta vs tors. theta energy: -120.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1462.562966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.562966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.562966 (E_RNA)
where:
Base-Base interactions energy: -1001.043
where: short stacking energy: -408.255
Base-Backbone interact. energy: -0.728
local terms energy: -460.791577
where:
bonds (distance) C4'-P energy: -84.950
bonds (distance) P-C4' energy: -89.720
flat angles C4'-P-C4' energy: -103.818
flat angles P-C4'-P energy: -64.732
tors. eta vs tors. theta energy: -117.571
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: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1352.286425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.286425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.286425 (E_RNA)
where:
Base-Base interactions energy: -915.376
where: short stacking energy: -398.134
Base-Backbone interact. energy: -2.219
local terms energy: -434.691762
where:
bonds (distance) C4'-P energy: -93.361
bonds (distance) P-C4' energy: -101.530
flat angles C4'-P-C4' energy: -79.528
flat angles P-C4'-P energy: -55.460
tors. eta vs tors. theta energy: -104.813
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: 8, replica: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1304.080982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.080982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.080982 (E_RNA)
where:
Base-Base interactions energy: -906.057
where: short stacking energy: -355.583
Base-Backbone interact. energy: -0.880
local terms energy: -397.144363
where:
bonds (distance) C4'-P energy: -87.419
bonds (distance) P-C4' energy: -86.264
flat angles C4'-P-C4' energy: -93.025
flat angles P-C4'-P energy: -54.593
tors. eta vs tors. theta energy: -75.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1024.040207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.040207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.040207 (E_RNA)
where:
Base-Base interactions energy: -650.600
where: short stacking energy: -304.321
Base-Backbone interact. energy: 1.409
local terms energy: -374.849062
where:
bonds (distance) C4'-P energy: -85.575
bonds (distance) P-C4' energy: -79.090
flat angles C4'-P-C4' energy: -95.160
flat angles P-C4'-P energy: -45.065
tors. eta vs tors. theta energy: -69.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -614.976836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.976836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.976836 (E_RNA)
where:
Base-Base interactions energy: -364.234
where: short stacking energy: -193.015
Base-Backbone interact. energy: 8.394
local terms energy: -259.136937
where:
bonds (distance) C4'-P energy: -63.318
bonds (distance) P-C4' energy: -72.985
flat angles C4'-P-C4' energy: -81.688
flat angles P-C4'-P energy: -49.848
tors. eta vs tors. theta energy: 8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1821.472666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.472666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.472666 (E_RNA)
where:
Base-Base interactions energy: -1275.702
where: short stacking energy: -530.789
Base-Backbone interact. energy: 0.885
local terms energy: -546.656030
where:
bonds (distance) C4'-P energy: -97.170
bonds (distance) P-C4' energy: -107.433
flat angles C4'-P-C4' energy: -124.031
flat angles P-C4'-P energy: -69.811
tors. eta vs tors. theta energy: -148.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1751.147988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.147988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.147988 (E_RNA)
where:
Base-Base interactions energy: -1247.668
where: short stacking energy: -485.332
Base-Backbone interact. energy: -3.741
local terms energy: -499.738462
where:
bonds (distance) C4'-P energy: -92.349
bonds (distance) P-C4' energy: -95.419
flat angles C4'-P-C4' energy: -110.580
flat angles P-C4'-P energy: -76.098
tors. eta vs tors. theta energy: -125.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1684.364950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.364950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.364950 (E_RNA)
where:
Base-Base interactions energy: -1187.494
where: short stacking energy: -473.737
Base-Backbone interact. energy: -3.462
local terms energy: -493.408798
where:
bonds (distance) C4'-P energy: -102.166
bonds (distance) P-C4' energy: -98.143
flat angles C4'-P-C4' energy: -104.219
flat angles P-C4'-P energy: -65.566
tors. eta vs tors. theta energy: -123.315
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: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1617.960411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.960411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.960411 (E_RNA)
where:
Base-Base interactions energy: -1101.715
where: short stacking energy: -455.408
Base-Backbone interact. energy: -0.822
local terms energy: -515.423640
where:
bonds (distance) C4'-P energy: -102.041
bonds (distance) P-C4' energy: -98.168
flat angles C4'-P-C4' energy: -107.864
flat angles P-C4'-P energy: -74.664
tors. eta vs tors. theta energy: -132.686
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: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1522.719069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.719069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.719069 (E_RNA)
where:
Base-Base interactions energy: -1059.658
where: short stacking energy: -460.523
Base-Backbone interact. energy: 3.190
local terms energy: -466.251331
where:
bonds (distance) C4'-P energy: -92.028
bonds (distance) P-C4' energy: -88.587
flat angles C4'-P-C4' energy: -109.768
flat angles P-C4'-P energy: -59.427
tors. eta vs tors. theta energy: -116.441
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: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1457.502218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.502218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.502218 (E_RNA)
where:
Base-Base interactions energy: -1002.418
where: short stacking energy: -409.757
Base-Backbone interact. energy: -2.170
local terms energy: -452.913862
where:
bonds (distance) C4'-P energy: -102.944
bonds (distance) P-C4' energy: -94.327
flat angles C4'-P-C4' energy: -93.865
flat angles P-C4'-P energy: -68.430
tors. eta vs tors. theta energy: -93.349
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: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1418.134555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.134555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.134555 (E_RNA)
where:
Base-Base interactions energy: -972.419
where: short stacking energy: -409.413
Base-Backbone interact. energy: -2.288
local terms energy: -443.427621
where:
bonds (distance) C4'-P energy: -80.238
bonds (distance) P-C4' energy: -101.080
flat angles C4'-P-C4' energy: -93.840
flat angles P-C4'-P energy: -71.800
tors. eta vs tors. theta energy: -96.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1313.133759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.133759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.133759 (E_RNA)
where:
Base-Base interactions energy: -888.401
where: short stacking energy: -369.053
Base-Backbone interact. energy: 3.907
local terms energy: -428.639865
where:
bonds (distance) C4'-P energy: -100.113
bonds (distance) P-C4' energy: -84.608
flat angles C4'-P-C4' energy: -93.073
flat angles P-C4'-P energy: -65.605
tors. eta vs tors. theta energy: -85.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1014.119943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.119943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.119943 (E_RNA)
where:
Base-Base interactions energy: -664.133
where: short stacking energy: -304.124
Base-Backbone interact. energy: 1.781
local terms energy: -351.767481
where:
bonds (distance) C4'-P energy: -59.369
bonds (distance) P-C4' energy: -97.486
flat angles C4'-P-C4' energy: -92.890
flat angles P-C4'-P energy: -47.768
tors. eta vs tors. theta energy: -54.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -620.634939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.634939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.634939 (E_RNA)
where:
Base-Base interactions energy: -311.679
where: short stacking energy: -160.822
Base-Backbone interact. energy: -1.026
local terms energy: -307.930628
where:
bonds (distance) C4'-P energy: -94.162
bonds (distance) P-C4' energy: -88.110
flat angles C4'-P-C4' energy: -89.066
flat angles P-C4'-P energy: -41.498
tors. eta vs tors. theta energy: 4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1815.518129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.518129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.518129 (E_RNA)
where:
Base-Base interactions energy: -1264.272
where: short stacking energy: -540.387
Base-Backbone interact. energy: -1.519
local terms energy: -549.727419
where:
bonds (distance) C4'-P energy: -96.402
bonds (distance) P-C4' energy: -98.692
flat angles C4'-P-C4' energy: -122.453
flat angles P-C4'-P energy: -82.025
tors. eta vs tors. theta energy: -150.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1750.848391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.848391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.848391 (E_RNA)
where:
Base-Base interactions energy: -1261.385
where: short stacking energy: -483.065
Base-Backbone interact. energy: -2.363
local terms energy: -487.100462
where:
bonds (distance) C4'-P energy: -81.441
bonds (distance) P-C4' energy: -107.994
flat angles C4'-P-C4' energy: -104.228
flat angles P-C4'-P energy: -73.605
tors. eta vs tors. theta energy: -119.833
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: 94
Temperature: 1.000000
Total energy: -1721.880032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.880032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.880032 (E_RNA)
where:
Base-Base interactions energy: -1229.065
where: short stacking energy: -508.642
Base-Backbone interact. energy: 1.577
local terms energy: -494.392657
where:
bonds (distance) C4'-P energy: -98.602
bonds (distance) P-C4' energy: -96.129
flat angles C4'-P-C4' energy: -110.129
flat angles P-C4'-P energy: -65.192
tors. eta vs tors. theta energy: -124.340
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: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1651.694433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.694433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.694433 (E_RNA)
where:
Base-Base interactions energy: -1135.288
where: short stacking energy: -465.748
Base-Backbone interact. energy: 0.094
local terms energy: -516.501013
where:
bonds (distance) C4'-P energy: -96.948
bonds (distance) P-C4' energy: -102.335
flat angles C4'-P-C4' energy: -103.643
flat angles P-C4'-P energy: -75.743
tors. eta vs tors. theta energy: -137.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1565.214605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.214605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.214605 (E_RNA)
where:
Base-Base interactions energy: -1103.254
where: short stacking energy: -460.450
Base-Backbone interact. energy: -4.526
local terms energy: -457.434970
where:
bonds (distance) C4'-P energy: -94.495
bonds (distance) P-C4' energy: -91.733
flat angles C4'-P-C4' energy: -96.977
flat angles P-C4'-P energy: -65.441
tors. eta vs tors. theta energy: -108.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1481.519268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.519268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.519268 (E_RNA)
where:
Base-Base interactions energy: -1053.487
where: short stacking energy: -401.387
Base-Backbone interact. energy: -3.409
local terms energy: -424.623514
where:
bonds (distance) C4'-P energy: -96.048
bonds (distance) P-C4' energy: -83.813
flat angles C4'-P-C4' energy: -88.715
flat angles P-C4'-P energy: -59.554
tors. eta vs tors. theta energy: -96.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1390.173841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.173841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.173841 (E_RNA)
where:
Base-Base interactions energy: -957.687
where: short stacking energy: -434.433
Base-Backbone interact. energy: 2.218
local terms energy: -434.704648
where:
bonds (distance) C4'-P energy: -88.676
bonds (distance) P-C4' energy: -79.831
flat angles C4'-P-C4' energy: -100.102
flat angles P-C4'-P energy: -55.505
tors. eta vs tors. theta energy: -110.591
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: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1314.544184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.544184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.544184 (E_RNA)
where:
Base-Base interactions energy: -919.782
where: short stacking energy: -376.056
Base-Backbone interact. energy: -1.156
local terms energy: -393.606530
where:
bonds (distance) C4'-P energy: -81.684
bonds (distance) P-C4' energy: -74.226
flat angles C4'-P-C4' energy: -91.103
flat angles P-C4'-P energy: -51.264
tors. eta vs tors. theta energy: -95.330
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: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -965.286482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.286482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.286482 (E_RNA)
where:
Base-Base interactions energy: -615.255
where: short stacking energy: -287.578
Base-Backbone interact. energy: -2.235
local terms energy: -347.795849
where:
bonds (distance) C4'-P energy: -84.918
bonds (distance) P-C4' energy: -77.682
flat angles C4'-P-C4' energy: -72.841
flat angles P-C4'-P energy: -63.616
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: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -619.193603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.193603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.193603 (E_RNA)
where:
Base-Base interactions energy: -341.880
where: short stacking energy: -181.921
Base-Backbone interact. energy: 0.236
local terms energy: -277.550291
where:
bonds (distance) C4'-P energy: -83.366
bonds (distance) P-C4' energy: -81.578
flat angles C4'-P-C4' energy: -58.338
flat angles P-C4'-P energy: -41.321
tors. eta vs tors. theta energy: -12.946
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: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1805.714151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.714151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.714151 (E_RNA)
where:
Base-Base interactions energy: -1289.590
where: short stacking energy: -534.809
Base-Backbone interact. energy: -3.641
local terms energy: -512.482350
where:
bonds (distance) C4'-P energy: -94.585
bonds (distance) P-C4' energy: -96.424
flat angles C4'-P-C4' energy: -112.670
flat angles P-C4'-P energy: -74.303
tors. eta vs tors. theta energy: -134.500
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: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1728.542437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.542437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.542437 (E_RNA)
where:
Base-Base interactions energy: -1214.208
where: short stacking energy: -476.054
Base-Backbone interact. energy: 1.319
local terms energy: -515.653451
where:
bonds (distance) C4'-P energy: -98.659
bonds (distance) P-C4' energy: -115.087
flat angles C4'-P-C4' energy: -115.210
flat angles P-C4'-P energy: -65.508
tors. eta vs tors. theta energy: -121.190
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: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1688.813352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.813352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.813352 (E_RNA)
where:
Base-Base interactions energy: -1234.851
where: short stacking energy: -497.627
Base-Backbone interact. energy: -1.821
local terms energy: -452.140885
where:
bonds (distance) C4'-P energy: -88.524
bonds (distance) P-C4' energy: -74.289
flat angles C4'-P-C4' energy: -103.199
flat angles P-C4'-P energy: -55.499
tors. eta vs tors. theta energy: -130.630
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: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1629.654639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.654639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.654639 (E_RNA)
where:
Base-Base interactions energy: -1136.001
where: short stacking energy: -460.315
Base-Backbone interact. energy: -0.809
local terms energy: -492.844629
where:
bonds (distance) C4'-P energy: -90.256
bonds (distance) P-C4' energy: -102.221
flat angles C4'-P-C4' energy: -105.586
flat angles P-C4'-P energy: -70.224
tors. eta vs tors. theta energy: -124.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1539.337677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.337677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.337677 (E_RNA)
where:
Base-Base interactions energy: -1063.560
where: short stacking energy: -434.481
Base-Backbone interact. energy: -4.588
local terms energy: -471.189469
where:
bonds (distance) C4'-P energy: -91.364
bonds (distance) P-C4' energy: -96.682
flat angles C4'-P-C4' energy: -96.761
flat angles P-C4'-P energy: -76.778
tors. eta vs tors. theta energy: -109.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1503.738627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.738627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.738627 (E_RNA)
where:
Base-Base interactions energy: -1047.937
where: short stacking energy: -446.529
Base-Backbone interact. energy: -0.104
local terms energy: -455.697575
where:
bonds (distance) C4'-P energy: -81.301
bonds (distance) P-C4' energy: -97.913
flat angles C4'-P-C4' energy: -103.208
flat angles P-C4'-P energy: -56.842
tors. eta vs tors. theta energy: -116.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1420.609873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.609873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.609873 (E_RNA)
where:
Base-Base interactions energy: -997.272
where: short stacking energy: -403.254
Base-Backbone interact. energy: -1.888
local terms energy: -421.449134
where:
bonds (distance) C4'-P energy: -77.704
bonds (distance) P-C4' energy: -77.138
flat angles C4'-P-C4' energy: -97.148
flat angles P-C4'-P energy: -63.287
tors. eta vs tors. theta energy: -106.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1323.410942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.410942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.410942 (E_RNA)
where:
Base-Base interactions energy: -928.573
where: short stacking energy: -374.897
Base-Backbone interact. energy: 1.270
local terms energy: -396.107472
where:
bonds (distance) C4'-P energy: -61.730
bonds (distance) P-C4' energy: -89.418
flat angles C4'-P-C4' energy: -96.877
flat angles P-C4'-P energy: -64.317
tors. eta vs tors. theta energy: -83.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1044.209060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.209060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.209060 (E_RNA)
where:
Base-Base interactions energy: -677.989
where: short stacking energy: -285.537
Base-Backbone interact. energy: -3.699
local terms energy: -362.520988
where:
bonds (distance) C4'-P energy: -80.858
bonds (distance) P-C4' energy: -95.977
flat angles C4'-P-C4' energy: -73.091
flat angles P-C4'-P energy: -49.459
tors. eta vs tors. theta energy: -63.136
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: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -539.880971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.880971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.880971 (E_RNA)
where:
Base-Base interactions energy: -254.335
where: short stacking energy: -147.928
Base-Backbone interact. energy: 1.099
local terms energy: -286.645026
where:
bonds (distance) C4'-P energy: -69.515
bonds (distance) P-C4' energy: -79.430
flat angles C4'-P-C4' energy: -84.470
flat angles P-C4'-P energy: -57.287
tors. eta vs tors. theta energy: 4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1828.778189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.778189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.778189 (E_RNA)
where:
Base-Base interactions energy: -1265.507
where: short stacking energy: -521.791
Base-Backbone interact. energy: -2.901
local terms energy: -560.370695
where:
bonds (distance) C4'-P energy: -103.708
bonds (distance) P-C4' energy: -114.070
flat angles C4'-P-C4' energy: -117.710
flat angles P-C4'-P energy: -81.529
tors. eta vs tors. theta energy: -143.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1746.639175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.639175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.639175 (E_RNA)
where:
Base-Base interactions energy: -1242.391
where: short stacking energy: -487.736
Base-Backbone interact. energy: -5.753
local terms energy: -498.495162
where:
bonds (distance) C4'-P energy: -95.053
bonds (distance) P-C4' energy: -99.019
flat angles C4'-P-C4' energy: -100.353
flat angles P-C4'-P energy: -69.262
tors. eta vs tors. theta energy: -134.808
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: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1723.304971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.304971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.304971 (E_RNA)
where:
Base-Base interactions energy: -1222.125
where: short stacking energy: -495.203
Base-Backbone interact. energy: -1.536
local terms energy: -499.644143
where:
bonds (distance) C4'-P energy: -91.767
bonds (distance) P-C4' energy: -110.195
flat angles C4'-P-C4' energy: -107.265
flat angles P-C4'-P energy: -71.020
tors. eta vs tors. theta energy: -119.397
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1607.596280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.596280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.596280 (E_RNA)
where:
Base-Base interactions energy: -1127.349
where: short stacking energy: -457.545
Base-Backbone interact. energy: 1.157
local terms energy: -481.403967
where:
bonds (distance) C4'-P energy: -86.076
bonds (distance) P-C4' energy: -98.854
flat angles C4'-P-C4' energy: -108.808
flat angles P-C4'-P energy: -73.973
tors. eta vs tors. theta energy: -113.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1558.312107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.312107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.312107 (E_RNA)
where:
Base-Base interactions energy: -1069.853
where: short stacking energy: -436.644
Base-Backbone interact. energy: -1.333
local terms energy: -487.126356
where:
bonds (distance) C4'-P energy: -88.759
bonds (distance) P-C4' energy: -110.313
flat angles C4'-P-C4' energy: -108.765
flat angles P-C4'-P energy: -74.355
tors. eta vs tors. theta energy: -104.934
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: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1485.278353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.278353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.278353 (E_RNA)
where:
Base-Base interactions energy: -1042.419
where: short stacking energy: -414.815
Base-Backbone interact. energy: -2.470
local terms energy: -440.389712
where:
bonds (distance) C4'-P energy: -72.380
bonds (distance) P-C4' energy: -92.404
flat angles C4'-P-C4' energy: -107.342
flat angles P-C4'-P energy: -67.082
tors. eta vs tors. theta energy: -101.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1428.530402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.530402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.530402 (E_RNA)
where:
Base-Base interactions energy: -982.945
where: short stacking energy: -406.142
Base-Backbone interact. energy: -0.537
local terms energy: -445.047880
where:
bonds (distance) C4'-P energy: -90.979
bonds (distance) P-C4' energy: -89.364
flat angles C4'-P-C4' energy: -90.309
flat angles P-C4'-P energy: -69.855
tors. eta vs tors. theta energy: -104.541
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: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1308.150984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.150984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.150984 (E_RNA)
where:
Base-Base interactions energy: -911.124
where: short stacking energy: -379.099
Base-Backbone interact. energy: -1.130
local terms energy: -395.897838
where:
bonds (distance) C4'-P energy: -90.404
bonds (distance) P-C4' energy: -71.647
flat angles C4'-P-C4' energy: -86.165
flat angles P-C4'-P energy: -60.672
tors. eta vs tors. theta energy: -87.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1026.929679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.929679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.929679 (E_RNA)
where:
Base-Base interactions energy: -668.091
where: short stacking energy: -301.470
Base-Backbone interact. energy: -2.871
local terms energy: -355.967947
where:
bonds (distance) C4'-P energy: -79.472
bonds (distance) P-C4' energy: -91.072
flat angles C4'-P-C4' energy: -92.629
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -52.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -559.960817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.960817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.960817 (E_RNA)
where:
Base-Base interactions energy: -270.148
where: short stacking energy: -160.367
Base-Backbone interact. energy: 1.889
local terms energy: -291.701859
where:
bonds (distance) C4'-P energy: -80.769
bonds (distance) P-C4' energy: -100.649
flat angles C4'-P-C4' energy: -64.791
flat angles P-C4'-P energy: -39.301
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1835.525641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.525641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.525641 (E_RNA)
where:
Base-Base interactions energy: -1303.981
where: short stacking energy: -532.180
Base-Backbone interact. energy: -3.155
local terms energy: -528.390037
where:
bonds (distance) C4'-P energy: -97.223
bonds (distance) P-C4' energy: -98.855
flat angles C4'-P-C4' energy: -119.016
flat angles P-C4'-P energy: -68.872
tors. eta vs tors. theta energy: -144.425
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: 97
Temperature: 0.950000
Total energy: -1765.916576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.916576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.916576 (E_RNA)
where:
Base-Base interactions energy: -1248.648
where: short stacking energy: -488.683
Base-Backbone interact. energy: -4.263
local terms energy: -513.006196
where:
bonds (distance) C4'-P energy: -95.823
bonds (distance) P-C4' energy: -105.329
flat angles C4'-P-C4' energy: -111.664
flat angles P-C4'-P energy: -67.563
tors. eta vs tors. theta energy: -132.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1720.354201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.354201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.354201 (E_RNA)
where:
Base-Base interactions energy: -1245.259
where: short stacking energy: -502.766
Base-Backbone interact. energy: -5.128
local terms energy: -469.967164
where:
bonds (distance) C4'-P energy: -75.700
bonds (distance) P-C4' energy: -95.084
flat angles C4'-P-C4' energy: -112.159
flat angles P-C4'-P energy: -66.379
tors. eta vs tors. theta energy: -120.645
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: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1646.001281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.001281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.001281 (E_RNA)
where:
Base-Base interactions energy: -1169.005
where: short stacking energy: -458.906
Base-Backbone interact. energy: -1.932
local terms energy: -475.064055
where:
bonds (distance) C4'-P energy: -94.674
bonds (distance) P-C4' energy: -98.577
flat angles C4'-P-C4' energy: -97.548
flat angles P-C4'-P energy: -62.929
tors. eta vs tors. theta energy: -121.335
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: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1557.715532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.715532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.715532 (E_RNA)
where:
Base-Base interactions energy: -1060.742
where: short stacking energy: -450.110
Base-Backbone interact. energy: 1.562
local terms energy: -498.535732
where:
bonds (distance) C4'-P energy: -82.136
bonds (distance) P-C4' energy: -97.617
flat angles C4'-P-C4' energy: -124.318
flat angles P-C4'-P energy: -74.399
tors. eta vs tors. theta energy: -120.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1467.293492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.293492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.293492 (E_RNA)
where:
Base-Base interactions energy: -1033.252
where: short stacking energy: -420.987
Base-Backbone interact. energy: -0.792
local terms energy: -433.249928
where:
bonds (distance) C4'-P energy: -80.855
bonds (distance) P-C4' energy: -93.049
flat angles C4'-P-C4' energy: -92.954
flat angles P-C4'-P energy: -60.794
tors. eta vs tors. theta energy: -105.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1374.286574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.286574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.286574 (E_RNA)
where:
Base-Base interactions energy: -948.386
where: short stacking energy: -411.327
Base-Backbone interact. energy: -1.614
local terms energy: -424.286491
where:
bonds (distance) C4'-P energy: -80.055
bonds (distance) P-C4' energy: -79.371
flat angles C4'-P-C4' energy: -107.398
flat angles P-C4'-P energy: -56.914
tors. eta vs tors. theta energy: -100.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1310.846935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.846935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.846935 (E_RNA)
where:
Base-Base interactions energy: -918.294
where: short stacking energy: -373.581
Base-Backbone interact. energy: -1.912
local terms energy: -390.640862
where:
bonds (distance) C4'-P energy: -62.729
bonds (distance) P-C4' energy: -91.730
flat angles C4'-P-C4' energy: -100.289
flat angles P-C4'-P energy: -59.674
tors. eta vs tors. theta energy: -76.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -989.166863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.166863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.166863 (E_RNA)
where:
Base-Base interactions energy: -688.104
where: short stacking energy: -283.609
Base-Backbone interact. energy: 10.409
local terms energy: -311.472423
where:
bonds (distance) C4'-P energy: -67.280
bonds (distance) P-C4' energy: -79.600
flat angles C4'-P-C4' energy: -77.350
flat angles P-C4'-P energy: -47.754
tors. eta vs tors. theta energy: -39.488
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: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -544.833391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.833391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.833391 (E_RNA)
where:
Base-Base interactions energy: -271.747
where: short stacking energy: -146.740
Base-Backbone interact. energy: 2.989
local terms energy: -276.074546
where:
bonds (distance) C4'-P energy: -69.053
bonds (distance) P-C4' energy: -88.683
flat angles C4'-P-C4' energy: -70.014
flat angles P-C4'-P energy: -43.322
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1834.170909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.170909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.170909 (E_RNA)
where:
Base-Base interactions energy: -1311.268
where: short stacking energy: -543.065
Base-Backbone interact. energy: -0.253
local terms energy: -522.649302
where:
bonds (distance) C4'-P energy: -98.621
bonds (distance) P-C4' energy: -91.265
flat angles C4'-P-C4' energy: -106.037
flat angles P-C4'-P energy: -77.625
tors. eta vs tors. theta energy: -149.101
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: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1767.171473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.171473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.171473 (E_RNA)
where:
Base-Base interactions energy: -1249.901
where: short stacking energy: -474.546
Base-Backbone interact. energy: -4.075
local terms energy: -513.195595
where:
bonds (distance) C4'-P energy: -101.235
bonds (distance) P-C4' energy: -112.240
flat angles C4'-P-C4' energy: -109.306
flat angles P-C4'-P energy: -60.895
tors. eta vs tors. theta energy: -129.520
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: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1698.150124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.150124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.150124 (E_RNA)
where:
Base-Base interactions energy: -1178.398
where: short stacking energy: -496.355
Base-Backbone interact. energy: -2.988
local terms energy: -516.763497
where:
bonds (distance) C4'-P energy: -93.797
bonds (distance) P-C4' energy: -106.527
flat angles C4'-P-C4' energy: -113.288
flat angles P-C4'-P energy: -76.450
tors. eta vs tors. theta energy: -126.701
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: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1609.759115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.759115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.759115 (E_RNA)
where:
Base-Base interactions energy: -1158.216
where: short stacking energy: -432.687
Base-Backbone interact. energy: -0.469
local terms energy: -451.074302
where:
bonds (distance) C4'-P energy: -85.827
bonds (distance) P-C4' energy: -86.586
flat angles C4'-P-C4' energy: -106.014
flat angles P-C4'-P energy: -68.938
tors. eta vs tors. theta energy: -103.709
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: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1568.971529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.971529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.971529 (E_RNA)
where:
Base-Base interactions energy: -1093.452
where: short stacking energy: -440.383
Base-Backbone interact. energy: -5.376
local terms energy: -470.142823
where:
bonds (distance) C4'-P energy: -99.099
bonds (distance) P-C4' energy: -88.386
flat angles C4'-P-C4' energy: -105.482
flat angles P-C4'-P energy: -59.354
tors. eta vs tors. theta energy: -117.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1472.893289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.893289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.893289 (E_RNA)
where:
Base-Base interactions energy: -1016.780
where: short stacking energy: -401.389
Base-Backbone interact. energy: 0.490
local terms energy: -456.603499
where:
bonds (distance) C4'-P energy: -84.397
bonds (distance) P-C4' energy: -96.379
flat angles C4'-P-C4' energy: -105.795
flat angles P-C4'-P energy: -62.480
tors. eta vs tors. theta energy: -107.552
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: 98
Temperature: 1.200000
Total energy: -1441.113272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.113272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.113272 (E_RNA)
where:
Base-Base interactions energy: -1025.250
where: short stacking energy: -416.118
Base-Backbone interact. energy: 1.518
local terms energy: -417.381930
where:
bonds (distance) C4'-P energy: -80.969
bonds (distance) P-C4' energy: -78.983
flat angles C4'-P-C4' energy: -106.981
flat angles P-C4'-P energy: -56.557
tors. eta vs tors. theta energy: -93.893
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: 98
Temperature: 1.250000
Total energy: -1371.519270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.519270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.519270 (E_RNA)
where:
Base-Base interactions energy: -932.661
where: short stacking energy: -416.205
Base-Backbone interact. energy: 0.602
local terms energy: -439.460010
where:
bonds (distance) C4'-P energy: -81.194
bonds (distance) P-C4' energy: -87.929
flat angles C4'-P-C4' energy: -108.598
flat angles P-C4'-P energy: -53.596
tors. eta vs tors. theta energy: -108.144
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: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1031.992239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.992239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.992239 (E_RNA)
where:
Base-Base interactions energy: -657.645
where: short stacking energy: -264.446
Base-Backbone interact. energy: 0.849
local terms energy: -375.195930
where:
bonds (distance) C4'-P energy: -101.406
bonds (distance) P-C4' energy: -92.485
flat angles C4'-P-C4' energy: -77.727
flat angles P-C4'-P energy: -55.183
tors. eta vs tors. theta energy: -48.394
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: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -556.381594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.381594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.381594 (E_RNA)
where:
Base-Base interactions energy: -267.669
where: short stacking energy: -157.737
Base-Backbone interact. energy: -2.770
local terms energy: -285.942641
where:
bonds (distance) C4'-P energy: -88.155
bonds (distance) P-C4' energy: -91.162
flat angles C4'-P-C4' energy: -63.655
flat angles P-C4'-P energy: -48.739
tors. eta vs tors. theta energy: 5.769
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: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1812.377335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.377335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.377335 (E_RNA)
where:
Base-Base interactions energy: -1271.383
where: short stacking energy: -527.088
Base-Backbone interact. energy: -2.766
local terms energy: -538.228287
where:
bonds (distance) C4'-P energy: -98.480
bonds (distance) P-C4' energy: -98.793
flat angles C4'-P-C4' energy: -113.043
flat angles P-C4'-P energy: -83.765
tors. eta vs tors. theta energy: -144.148
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: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1763.240346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.240346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.240346 (E_RNA)
where:
Base-Base interactions energy: -1246.572
where: short stacking energy: -496.620
Base-Backbone interact. energy: -5.880
local terms energy: -510.787457
where:
bonds (distance) C4'-P energy: -95.476
bonds (distance) P-C4' energy: -98.188
flat angles C4'-P-C4' energy: -109.864
flat angles P-C4'-P energy: -73.074
tors. eta vs tors. theta energy: -134.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1690.375404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.375404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.375404 (E_RNA)
where:
Base-Base interactions energy: -1185.894
where: short stacking energy: -475.262
Base-Backbone interact. energy: -0.261
local terms energy: -504.221151
where:
bonds (distance) C4'-P energy: -99.605
bonds (distance) P-C4' energy: -96.793
flat angles C4'-P-C4' energy: -99.612
flat angles P-C4'-P energy: -86.574
tors. eta vs tors. theta energy: -121.637
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: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1640.695871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.695871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.695871 (E_RNA)
where:
Base-Base interactions energy: -1150.356
where: short stacking energy: -461.001
Base-Backbone interact. energy: -3.791
local terms energy: -486.548238
where:
bonds (distance) C4'-P energy: -92.964
bonds (distance) P-C4' energy: -95.532
flat angles C4'-P-C4' energy: -108.047
flat angles P-C4'-P energy: -67.305
tors. eta vs tors. theta energy: -122.701
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: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1578.777816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.777816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.777816 (E_RNA)
where:
Base-Base interactions energy: -1099.230
where: short stacking energy: -464.252
Base-Backbone interact. energy: 0.015
local terms energy: -479.562931
where:
bonds (distance) C4'-P energy: -98.908
bonds (distance) P-C4' energy: -88.077
flat angles C4'-P-C4' energy: -104.789
flat angles P-C4'-P energy: -68.913
tors. eta vs tors. theta energy: -118.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1453.835955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.835955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.835955 (E_RNA)
where:
Base-Base interactions energy: -1012.649
where: short stacking energy: -397.925
Base-Backbone interact. energy: -0.792
local terms energy: -440.395826
where:
bonds (distance) C4'-P energy: -83.025
bonds (distance) P-C4' energy: -92.549
flat angles C4'-P-C4' energy: -98.617
flat angles P-C4'-P energy: -68.807
tors. eta vs tors. theta energy: -97.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1449.818350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.818350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.818350 (E_RNA)
where:
Base-Base interactions energy: -1011.238
where: short stacking energy: -396.296
Base-Backbone interact. energy: -0.847
local terms energy: -437.733254
where:
bonds (distance) C4'-P energy: -92.885
bonds (distance) P-C4' energy: -90.348
flat angles C4'-P-C4' energy: -78.720
flat angles P-C4'-P energy: -70.214
tors. eta vs tors. theta energy: -105.567
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: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1317.721438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.721438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.721438 (E_RNA)
where:
Base-Base interactions energy: -869.697
where: short stacking energy: -355.829
Base-Backbone interact. energy: -4.024
local terms energy: -444.000651
where:
bonds (distance) C4'-P energy: -98.866
bonds (distance) P-C4' energy: -88.410
flat angles C4'-P-C4' energy: -103.085
flat angles P-C4'-P energy: -67.454
tors. eta vs tors. theta energy: -86.186
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: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1068.265294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.265294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.265294 (E_RNA)
where:
Base-Base interactions energy: -689.398
where: short stacking energy: -285.967
Base-Backbone interact. energy: -1.197
local terms energy: -377.670675
where:
bonds (distance) C4'-P energy: -85.992
bonds (distance) P-C4' energy: -93.239
flat angles C4'-P-C4' energy: -88.327
flat angles P-C4'-P energy: -61.220
tors. eta vs tors. theta energy: -48.894
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: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -569.469225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.469225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.469225 (E_RNA)
where:
Base-Base interactions energy: -276.467
where: short stacking energy: -171.642
Base-Backbone interact. energy: 0.498
local terms energy: -293.501072
where:
bonds (distance) C4'-P energy: -90.312
bonds (distance) P-C4' energy: -96.475
flat angles C4'-P-C4' energy: -63.891
flat angles P-C4'-P energy: -39.097
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1773.752492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.752492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.752492 (E_RNA)
where:
Base-Base interactions energy: -1250.774
where: short stacking energy: -484.158
Base-Backbone interact. energy: -4.301
local terms energy: -518.677705
where:
bonds (distance) C4'-P energy: -93.913
bonds (distance) P-C4' energy: -98.386
flat angles C4'-P-C4' energy: -115.950
flat angles P-C4'-P energy: -77.126
tors. eta vs tors. theta energy: -133.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1762.792954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.792954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.792954 (E_RNA)
where:
Base-Base interactions energy: -1234.119
where: short stacking energy: -489.204
Base-Backbone interact. energy: -0.842
local terms energy: -527.831980
where:
bonds (distance) C4'-P energy: -97.868
bonds (distance) P-C4' energy: -107.920
flat angles C4'-P-C4' energy: -107.822
flat angles P-C4'-P energy: -74.304
tors. eta vs tors. theta energy: -139.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1712.799677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.799677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.799677 (E_RNA)
where:
Base-Base interactions energy: -1210.844
where: short stacking energy: -498.615
Base-Backbone interact. energy: 6.697
local terms energy: -508.652303
where:
bonds (distance) C4'-P energy: -108.238
bonds (distance) P-C4' energy: -87.695
flat angles C4'-P-C4' energy: -116.805
flat angles P-C4'-P energy: -74.585
tors. eta vs tors. theta energy: -121.330
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: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1648.189585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.189585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.189585 (E_RNA)
where:
Base-Base interactions energy: -1159.450
where: short stacking energy: -453.462
Base-Backbone interact. energy: -0.119
local terms energy: -488.620696
where:
bonds (distance) C4'-P energy: -96.778
bonds (distance) P-C4' energy: -86.930
flat angles C4'-P-C4' energy: -112.323
flat angles P-C4'-P energy: -70.977
tors. eta vs tors. theta energy: -121.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1567.119416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.119416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.119416 (E_RNA)
where:
Base-Base interactions energy: -1087.723
where: short stacking energy: -453.241
Base-Backbone interact. energy: -2.028
local terms energy: -477.368521
where:
bonds (distance) C4'-P energy: -88.599
bonds (distance) P-C4' energy: -103.716
flat angles C4'-P-C4' energy: -101.943
flat angles P-C4'-P energy: -61.330
tors. eta vs tors. theta energy: -121.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1452.060327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.060327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.060327 (E_RNA)
where:
Base-Base interactions energy: -1014.372
where: short stacking energy: -417.662
Base-Backbone interact. energy: -5.176
local terms energy: -432.512914
where:
bonds (distance) C4'-P energy: -82.493
bonds (distance) P-C4' energy: -96.502
flat angles C4'-P-C4' energy: -89.613
flat angles P-C4'-P energy: -68.214
tors. eta vs tors. theta energy: -95.691
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: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1428.810407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.810407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.810407 (E_RNA)
where:
Base-Base interactions energy: -998.752
where: short stacking energy: -398.243
Base-Backbone interact. energy: 1.850
local terms energy: -431.907899
where:
bonds (distance) C4'-P energy: -81.597
bonds (distance) P-C4' energy: -83.785
flat angles C4'-P-C4' energy: -99.796
flat angles P-C4'-P energy: -61.688
tors. eta vs tors. theta energy: -105.041
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: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1314.543181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.543181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.543181 (E_RNA)
where:
Base-Base interactions energy: -920.356
where: short stacking energy: -391.696
Base-Backbone interact. energy: 0.543
local terms energy: -394.730209
where:
bonds (distance) C4'-P energy: -84.303
bonds (distance) P-C4' energy: -71.829
flat angles C4'-P-C4' energy: -87.581
flat angles P-C4'-P energy: -52.437
tors. eta vs tors. theta energy: -98.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -985.545076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.545076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.545076 (E_RNA)
where:
Base-Base interactions energy: -644.729
where: short stacking energy: -263.153
Base-Backbone interact. energy: -2.099
local terms energy: -338.717343
where:
bonds (distance) C4'-P energy: -78.882
bonds (distance) P-C4' energy: -83.269
flat angles C4'-P-C4' energy: -86.256
flat angles P-C4'-P energy: -44.253
tors. eta vs tors. theta energy: -46.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -551.273280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.273280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.273280 (E_RNA)
where:
Base-Base interactions energy: -262.796
where: short stacking energy: -170.680
Base-Backbone interact. energy: -0.174
local terms energy: -288.303975
where:
bonds (distance) C4'-P energy: -81.084
bonds (distance) P-C4' energy: -82.991
flat angles C4'-P-C4' energy: -82.597
flat angles P-C4'-P energy: -43.155
tors. eta vs tors. theta energy: 1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1791.816942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.816942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.816942 (E_RNA)
where:
Base-Base interactions energy: -1275.997
where: short stacking energy: -501.090
Base-Backbone interact. energy: -0.613
local terms energy: -515.206312
where:
bonds (distance) C4'-P energy: -101.002
bonds (distance) P-C4' energy: -102.662
flat angles C4'-P-C4' energy: -108.322
flat angles P-C4'-P energy: -66.796
tors. eta vs tors. theta energy: -136.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1806.939081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.939081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.939081 (E_RNA)
where:
Base-Base interactions energy: -1292.848
where: short stacking energy: -516.621
Base-Backbone interact. energy: -2.791
local terms energy: -511.299633
where:
bonds (distance) C4'-P energy: -87.917
bonds (distance) P-C4' energy: -93.327
flat angles C4'-P-C4' energy: -114.259
flat angles P-C4'-P energy: -75.655
tors. eta vs tors. theta energy: -140.141
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: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1734.807177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.807177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.807177 (E_RNA)
where:
Base-Base interactions energy: -1219.850
where: short stacking energy: -513.485
Base-Backbone interact. energy: -4.523
local terms energy: -510.433613
where:
bonds (distance) C4'-P energy: -87.592
bonds (distance) P-C4' energy: -95.290
flat angles C4'-P-C4' energy: -109.614
flat angles P-C4'-P energy: -71.722
tors. eta vs tors. theta energy: -146.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1667.009097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.009097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.009097 (E_RNA)
where:
Base-Base interactions energy: -1197.871
where: short stacking energy: -481.266
Base-Backbone interact. energy: -2.027
local terms energy: -467.111798
where:
bonds (distance) C4'-P energy: -78.952
bonds (distance) P-C4' energy: -90.466
flat angles C4'-P-C4' energy: -96.476
flat angles P-C4'-P energy: -80.469
tors. eta vs tors. theta energy: -120.749
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: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1542.183544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.183544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.183544 (E_RNA)
where:
Base-Base interactions energy: -1083.437
where: short stacking energy: -455.234
Base-Backbone interact. energy: -2.091
local terms energy: -456.655003
where:
bonds (distance) C4'-P energy: -80.457
bonds (distance) P-C4' energy: -93.436
flat angles C4'-P-C4' energy: -109.293
flat angles P-C4'-P energy: -59.221
tors. eta vs tors. theta energy: -114.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1518.566201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.566201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.566201 (E_RNA)
where:
Base-Base interactions energy: -1076.148
where: short stacking energy: -424.422
Base-Backbone interact. energy: 1.968
local terms energy: -444.385492
where:
bonds (distance) C4'-P energy: -87.781
bonds (distance) P-C4' energy: -94.343
flat angles C4'-P-C4' energy: -101.471
flat angles P-C4'-P energy: -53.848
tors. eta vs tors. theta energy: -106.943
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: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1378.523645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.523645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.523645 (E_RNA)
where:
Base-Base interactions energy: -958.502
where: short stacking energy: -401.204
Base-Backbone interact. energy: -1.648
local terms energy: -418.374037
where:
bonds (distance) C4'-P energy: -87.260
bonds (distance) P-C4' energy: -89.513
flat angles C4'-P-C4' energy: -98.106
flat angles P-C4'-P energy: -58.382
tors. eta vs tors. theta energy: -85.113
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: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1298.896142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.896142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.896142 (E_RNA)
where:
Base-Base interactions energy: -892.480
where: short stacking energy: -400.799
Base-Backbone interact. energy: -2.703
local terms energy: -403.713438
where:
bonds (distance) C4'-P energy: -75.624
bonds (distance) P-C4' energy: -67.514
flat angles C4'-P-C4' energy: -96.798
flat angles P-C4'-P energy: -56.422
tors. eta vs tors. theta energy: -107.356
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: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -993.229904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.229904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.229904 (E_RNA)
where:
Base-Base interactions energy: -653.497
where: short stacking energy: -290.141
Base-Backbone interact. energy: -1.178
local terms energy: -338.554678
where:
bonds (distance) C4'-P energy: -67.013
bonds (distance) P-C4' energy: -91.597
flat angles C4'-P-C4' energy: -70.008
flat angles P-C4'-P energy: -65.732
tors. eta vs tors. theta energy: -44.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -549.835381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.835381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.835381 (E_RNA)
where:
Base-Base interactions energy: -290.747
where: short stacking energy: -165.736
Base-Backbone interact. energy: 2.560
local terms energy: -261.648156
where:
bonds (distance) C4'-P energy: -69.180
bonds (distance) P-C4' energy: -77.785
flat angles C4'-P-C4' energy: -77.713
flat angles P-C4'-P energy: -43.260
tors. eta vs tors. theta energy: 6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1789.208426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.208426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.208426 (E_RNA)
where:
Base-Base interactions energy: -1262.041
where: short stacking energy: -509.304
Base-Backbone interact. energy: -1.041
local terms energy: -526.126862
where:
bonds (distance) C4'-P energy: -102.007
bonds (distance) P-C4' energy: -104.556
flat angles C4'-P-C4' energy: -110.471
flat angles P-C4'-P energy: -68.358
tors. eta vs tors. theta energy: -140.734
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: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1765.221941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.221941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.221941 (E_RNA)
where:
Base-Base interactions energy: -1236.765
where: short stacking energy: -493.443
Base-Backbone interact. energy: -0.716
local terms energy: -527.740935
where:
bonds (distance) C4'-P energy: -96.518
bonds (distance) P-C4' energy: -98.421
flat angles C4'-P-C4' energy: -120.226
flat angles P-C4'-P energy: -75.427
tors. eta vs tors. theta energy: -137.148
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: 102
Temperature: 1.000000
Total energy: -1748.849213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.849213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.849213 (E_RNA)
where:
Base-Base interactions energy: -1211.083
where: short stacking energy: -513.236
Base-Backbone interact. energy: -2.907
local terms energy: -534.858951
where:
bonds (distance) C4'-P energy: -101.855
bonds (distance) P-C4' energy: -99.592
flat angles C4'-P-C4' energy: -105.070
flat angles P-C4'-P energy: -79.450
tors. eta vs tors. theta energy: -148.892
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: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1657.539922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.539922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.539922 (E_RNA)
where:
Base-Base interactions energy: -1176.959
where: short stacking energy: -496.754
Base-Backbone interact. energy: -2.266
local terms energy: -478.314766
where:
bonds (distance) C4'-P energy: -91.793
bonds (distance) P-C4' energy: -98.380
flat angles C4'-P-C4' energy: -100.768
flat angles P-C4'-P energy: -59.634
tors. eta vs tors. theta energy: -127.740
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: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1560.916584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.916584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.916584 (E_RNA)
where:
Base-Base interactions energy: -1085.301
where: short stacking energy: -439.260
Base-Backbone interact. energy: -0.799
local terms energy: -474.816304
where:
bonds (distance) C4'-P energy: -92.041
bonds (distance) P-C4' energy: -86.565
flat angles C4'-P-C4' energy: -111.864
flat angles P-C4'-P energy: -68.583
tors. eta vs tors. theta energy: -115.762
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: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1548.258235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.258235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.258235 (E_RNA)
where:
Base-Base interactions energy: -1090.666
where: short stacking energy: -454.724
Base-Backbone interact. energy: -0.906
local terms energy: -456.685466
where:
bonds (distance) C4'-P energy: -77.787
bonds (distance) P-C4' energy: -99.936
flat angles C4'-P-C4' energy: -105.796
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: -125.056
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: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1458.816400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.816400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.816400 (E_RNA)
where:
Base-Base interactions energy: -1029.788
where: short stacking energy: -412.950
Base-Backbone interact. energy: 0.975
local terms energy: -430.002862
where:
bonds (distance) C4'-P energy: -80.451
bonds (distance) P-C4' energy: -97.610
flat angles C4'-P-C4' energy: -82.385
flat angles P-C4'-P energy: -67.367
tors. eta vs tors. theta energy: -102.190
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: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1317.749767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.749767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.749767 (E_RNA)
where:
Base-Base interactions energy: -895.078
where: short stacking energy: -378.804
Base-Backbone interact. energy: -3.032
local terms energy: -419.640564
where:
bonds (distance) C4'-P energy: -86.020
bonds (distance) P-C4' energy: -84.810
flat angles C4'-P-C4' energy: -88.701
flat angles P-C4'-P energy: -70.466
tors. eta vs tors. theta energy: -89.644
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: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1029.119140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.119140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.119140 (E_RNA)
where:
Base-Base interactions energy: -645.089
where: short stacking energy: -294.665
Base-Backbone interact. energy: -1.211
local terms energy: -382.819111
where:
bonds (distance) C4'-P energy: -80.804
bonds (distance) P-C4' energy: -98.823
flat angles C4'-P-C4' energy: -94.205
flat angles P-C4'-P energy: -41.772
tors. eta vs tors. theta energy: -67.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -548.859593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.859593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.859593 (E_RNA)
where:
Base-Base interactions energy: -294.410
where: short stacking energy: -175.038
Base-Backbone interact. energy: -0.470
local terms energy: -253.979587
where:
bonds (distance) C4'-P energy: -63.192
bonds (distance) P-C4' energy: -66.267
flat angles C4'-P-C4' energy: -87.791
flat angles P-C4'-P energy: -33.837
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1779.217140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.217140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.217140 (E_RNA)
where:
Base-Base interactions energy: -1254.414
where: short stacking energy: -508.877
Base-Backbone interact. energy: -4.013
local terms energy: -520.790265
where:
bonds (distance) C4'-P energy: -97.748
bonds (distance) P-C4' energy: -109.863
flat angles C4'-P-C4' energy: -111.166
flat angles P-C4'-P energy: -65.721
tors. eta vs tors. theta energy: -136.293
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: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1792.196065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.196065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.196065 (E_RNA)
where:
Base-Base interactions energy: -1261.516
where: short stacking energy: -534.697
Base-Backbone interact. energy: -3.356
local terms energy: -527.324303
where:
bonds (distance) C4'-P energy: -92.517
bonds (distance) P-C4' energy: -93.635
flat angles C4'-P-C4' energy: -102.469
flat angles P-C4'-P energy: -93.003
tors. eta vs tors. theta energy: -145.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1743.842046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.842046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.842046 (E_RNA)
where:
Base-Base interactions energy: -1253.668
where: short stacking energy: -506.593
Base-Backbone interact. energy: -2.839
local terms energy: -487.334882
where:
bonds (distance) C4'-P energy: -92.077
bonds (distance) P-C4' energy: -94.330
flat angles C4'-P-C4' energy: -112.142
flat angles P-C4'-P energy: -51.672
tors. eta vs tors. theta energy: -137.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1663.498322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.498322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.498322 (E_RNA)
where:
Base-Base interactions energy: -1171.326
where: short stacking energy: -463.183
Base-Backbone interact. energy: -3.805
local terms energy: -488.367940
where:
bonds (distance) C4'-P energy: -86.645
bonds (distance) P-C4' energy: -97.904
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -75.348
tors. eta vs tors. theta energy: -120.968
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: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1530.024192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.024192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.024192 (E_RNA)
where:
Base-Base interactions energy: -1075.591
where: short stacking energy: -436.461
Base-Backbone interact. energy: 3.536
local terms energy: -457.969779
where:
bonds (distance) C4'-P energy: -84.596
bonds (distance) P-C4' energy: -99.880
flat angles C4'-P-C4' energy: -103.497
flat angles P-C4'-P energy: -65.930
tors. eta vs tors. theta energy: -104.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1519.406389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.406389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.406389 (E_RNA)
where:
Base-Base interactions energy: -1046.994
where: short stacking energy: -448.532
Base-Backbone interact. energy: 3.749
local terms energy: -476.161584
where:
bonds (distance) C4'-P energy: -76.740
bonds (distance) P-C4' energy: -102.083
flat angles C4'-P-C4' energy: -97.766
flat angles P-C4'-P energy: -78.597
tors. eta vs tors. theta energy: -120.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1423.012742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.012742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.012742 (E_RNA)
where:
Base-Base interactions energy: -997.150
where: short stacking energy: -402.464
Base-Backbone interact. energy: -1.846
local terms energy: -424.017652
where:
bonds (distance) C4'-P energy: -80.732
bonds (distance) P-C4' energy: -96.169
flat angles C4'-P-C4' energy: -100.750
flat angles P-C4'-P energy: -46.521
tors. eta vs tors. theta energy: -99.845
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: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1334.100550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.100550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.100550 (E_RNA)
where:
Base-Base interactions energy: -931.400
where: short stacking energy: -372.808
Base-Backbone interact. energy: -0.588
local terms energy: -402.111867
where:
bonds (distance) C4'-P energy: -84.034
bonds (distance) P-C4' energy: -69.460
flat angles C4'-P-C4' energy: -96.852
flat angles P-C4'-P energy: -53.619
tors. eta vs tors. theta energy: -98.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1024.682884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.682884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.682884 (E_RNA)
where:
Base-Base interactions energy: -655.161
where: short stacking energy: -276.692
Base-Backbone interact. energy: -2.082
local terms energy: -367.440187
where:
bonds (distance) C4'-P energy: -80.310
bonds (distance) P-C4' energy: -84.157
flat angles C4'-P-C4' energy: -78.523
flat angles P-C4'-P energy: -65.871
tors. eta vs tors. theta energy: -58.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -560.707410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.707410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.707410 (E_RNA)
where:
Base-Base interactions energy: -287.546
where: short stacking energy: -170.605
Base-Backbone interact. energy: -1.278
local terms energy: -271.884078
where:
bonds (distance) C4'-P energy: -68.805
bonds (distance) P-C4' energy: -81.300
flat angles C4'-P-C4' energy: -90.812
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: 11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1841.667245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.667245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.667245 (E_RNA)
where:
Base-Base interactions energy: -1296.283
where: short stacking energy: -530.785
Base-Backbone interact. energy: -2.555
local terms energy: -542.829394
where:
bonds (distance) C4'-P energy: -103.499
bonds (distance) P-C4' energy: -106.631
flat angles C4'-P-C4' energy: -117.205
flat angles P-C4'-P energy: -73.262
tors. eta vs tors. theta energy: -142.233
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: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1774.613445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.613445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.613445 (E_RNA)
where:
Base-Base interactions energy: -1265.994
where: short stacking energy: -503.561
Base-Backbone interact. energy: 3.848
local terms energy: -512.467599
where:
bonds (distance) C4'-P energy: -89.290
bonds (distance) P-C4' energy: -91.847
flat angles C4'-P-C4' energy: -121.097
flat angles P-C4'-P energy: -72.988
tors. eta vs tors. theta energy: -137.247
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: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1750.780400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.780400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.780400 (E_RNA)
where:
Base-Base interactions energy: -1208.409
where: short stacking energy: -479.780
Base-Backbone interact. energy: -5.319
local terms energy: -537.052368
where:
bonds (distance) C4'-P energy: -93.217
bonds (distance) P-C4' energy: -107.428
flat angles C4'-P-C4' energy: -112.727
flat angles P-C4'-P energy: -82.400
tors. eta vs tors. theta energy: -141.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1693.761014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.761014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.761014 (E_RNA)
where:
Base-Base interactions energy: -1210.575
where: short stacking energy: -470.382
Base-Backbone interact. energy: -2.264
local terms energy: -480.921397
where:
bonds (distance) C4'-P energy: -89.604
bonds (distance) P-C4' energy: -103.939
flat angles C4'-P-C4' energy: -99.204
flat angles P-C4'-P energy: -61.549
tors. eta vs tors. theta energy: -126.624
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: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1557.629928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.629928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.629928 (E_RNA)
where:
Base-Base interactions energy: -1086.413
where: short stacking energy: -460.815
Base-Backbone interact. energy: -2.461
local terms energy: -468.756031
where:
bonds (distance) C4'-P energy: -91.036
bonds (distance) P-C4' energy: -83.248
flat angles C4'-P-C4' energy: -105.619
flat angles P-C4'-P energy: -63.807
tors. eta vs tors. theta energy: -125.045
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: 104
Temperature: 1.150000
Total energy: -1477.009868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.009868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.009868 (E_RNA)
where:
Base-Base interactions energy: -1050.138
where: short stacking energy: -431.093
Base-Backbone interact. energy: -4.423
local terms energy: -422.448895
where:
bonds (distance) C4'-P energy: -70.959
bonds (distance) P-C4' energy: -89.227
flat angles C4'-P-C4' energy: -105.303
flat angles P-C4'-P energy: -51.602
tors. eta vs tors. theta energy: -105.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1440.058934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.058934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.058934 (E_RNA)
where:
Base-Base interactions energy: -989.123
where: short stacking energy: -410.932
Base-Backbone interact. energy: 1.415
local terms energy: -452.351583
where:
bonds (distance) C4'-P energy: -82.082
bonds (distance) P-C4' energy: -86.075
flat angles C4'-P-C4' energy: -93.581
flat angles P-C4'-P energy: -73.799
tors. eta vs tors. theta energy: -116.814
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: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1307.559734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.559734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.559734 (E_RNA)
where:
Base-Base interactions energy: -882.519
where: short stacking energy: -381.997
Base-Backbone interact. energy: -1.245
local terms energy: -423.795586
where:
bonds (distance) C4'-P energy: -82.738
bonds (distance) P-C4' energy: -93.320
flat angles C4'-P-C4' energy: -89.285
flat angles P-C4'-P energy: -55.959
tors. eta vs tors. theta energy: -102.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1055.840024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.840024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.840024 (E_RNA)
where:
Base-Base interactions energy: -716.450
where: short stacking energy: -323.706
Base-Backbone interact. energy: -1.719
local terms energy: -337.670661
where:
bonds (distance) C4'-P energy: -80.019
bonds (distance) P-C4' energy: -82.540
flat angles C4'-P-C4' energy: -80.689
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -62.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -554.549190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.549190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.549190 (E_RNA)
where:
Base-Base interactions energy: -279.999
where: short stacking energy: -143.688
Base-Backbone interact. energy: 1.173
local terms energy: -275.723090
where:
bonds (distance) C4'-P energy: -79.201
bonds (distance) P-C4' energy: -95.268
flat angles C4'-P-C4' energy: -71.546
flat angles P-C4'-P energy: -44.226
tors. eta vs tors. theta energy: 14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1877.231416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.231416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.231416 (E_RNA)
where:
Base-Base interactions energy: -1329.197
where: short stacking energy: -557.672
Base-Backbone interact. energy: -2.109
local terms energy: -545.925002
where:
bonds (distance) C4'-P energy: -90.671
bonds (distance) P-C4' energy: -99.539
flat angles C4'-P-C4' energy: -118.002
flat angles P-C4'-P energy: -87.165
tors. eta vs tors. theta energy: -150.549
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: 105
Temperature: 0.950000
Total energy: -1800.681629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.681629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.681629 (E_RNA)
where:
Base-Base interactions energy: -1269.562
where: short stacking energy: -497.028
Base-Backbone interact. energy: -1.646
local terms energy: -529.473483
where:
bonds (distance) C4'-P energy: -108.175
bonds (distance) P-C4' energy: -86.914
flat angles C4'-P-C4' energy: -119.965
flat angles P-C4'-P energy: -78.642
tors. eta vs tors. theta energy: -135.777
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: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1711.013117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.013117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.013117 (E_RNA)
where:
Base-Base interactions energy: -1209.633
where: short stacking energy: -504.741
Base-Backbone interact. energy: -1.359
local terms energy: -500.021134
where:
bonds (distance) C4'-P energy: -97.569
bonds (distance) P-C4' energy: -91.706
flat angles C4'-P-C4' energy: -110.658
flat angles P-C4'-P energy: -69.237
tors. eta vs tors. theta energy: -130.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1670.283041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.283041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.283041 (E_RNA)
where:
Base-Base interactions energy: -1194.385
where: short stacking energy: -471.534
Base-Backbone interact. energy: -2.927
local terms energy: -472.971374
where:
bonds (distance) C4'-P energy: -88.857
bonds (distance) P-C4' energy: -80.454
flat angles C4'-P-C4' energy: -111.218
flat angles P-C4'-P energy: -61.653
tors. eta vs tors. theta energy: -130.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1542.509803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.509803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.509803 (E_RNA)
where:
Base-Base interactions energy: -1047.688
where: short stacking energy: -457.585
Base-Backbone interact. energy: -3.292
local terms energy: -491.529292
where:
bonds (distance) C4'-P energy: -82.456
bonds (distance) P-C4' energy: -101.529
flat angles C4'-P-C4' energy: -99.152
flat angles P-C4'-P energy: -81.553
tors. eta vs tors. theta energy: -126.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1468.222154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.222154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.222154 (E_RNA)
where:
Base-Base interactions energy: -1049.115
where: short stacking energy: -411.626
Base-Backbone interact. energy: 2.342
local terms energy: -421.449445
where:
bonds (distance) C4'-P energy: -82.848
bonds (distance) P-C4' energy: -76.963
flat angles C4'-P-C4' energy: -97.910
flat angles P-C4'-P energy: -60.202
tors. eta vs tors. theta energy: -103.527
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: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1336.324637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.324637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.324637 (E_RNA)
where:
Base-Base interactions energy: -941.830
where: short stacking energy: -388.026
Base-Backbone interact. energy: -1.697
local terms energy: -392.797594
where:
bonds (distance) C4'-P energy: -78.827
bonds (distance) P-C4' energy: -66.204
flat angles C4'-P-C4' energy: -92.896
flat angles P-C4'-P energy: -57.738
tors. eta vs tors. theta energy: -97.133
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: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1295.677051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.677051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.677051 (E_RNA)
where:
Base-Base interactions energy: -901.309
where: short stacking energy: -381.849
Base-Backbone interact. energy: 1.711
local terms energy: -396.079069
where:
bonds (distance) C4'-P energy: -72.393
bonds (distance) P-C4' energy: -87.079
flat angles C4'-P-C4' energy: -85.268
flat angles P-C4'-P energy: -67.539
tors. eta vs tors. theta energy: -83.799
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: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1060.667825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.667825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.667825 (E_RNA)
where:
Base-Base interactions energy: -704.067
where: short stacking energy: -305.024
Base-Backbone interact. energy: 9.853
local terms energy: -366.454222
where:
bonds (distance) C4'-P energy: -85.578
bonds (distance) P-C4' energy: -77.488
flat angles C4'-P-C4' energy: -79.726
flat angles P-C4'-P energy: -59.105
tors. eta vs tors. theta energy: -64.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -549.904394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.904394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.904394 (E_RNA)
where:
Base-Base interactions energy: -261.634
where: short stacking energy: -162.746
Base-Backbone interact. energy: 0.111
local terms energy: -288.381326
where:
bonds (distance) C4'-P energy: -75.495
bonds (distance) P-C4' energy: -81.759
flat angles C4'-P-C4' energy: -72.248
flat angles P-C4'-P energy: -53.359
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1858.083038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.083038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.083038 (E_RNA)
where:
Base-Base interactions energy: -1306.400
where: short stacking energy: -538.373
Base-Backbone interact. energy: -3.402
local terms energy: -548.281681
where:
bonds (distance) C4'-P energy: -106.923
bonds (distance) P-C4' energy: -110.022
flat angles C4'-P-C4' energy: -118.459
flat angles P-C4'-P energy: -68.053
tors. eta vs tors. theta energy: -144.824
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: 106
Temperature: 0.950000
Total energy: -1803.781321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.781321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.781321 (E_RNA)
where:
Base-Base interactions energy: -1272.318
where: short stacking energy: -493.590
Base-Backbone interact. energy: -0.425
local terms energy: -531.038032
where:
bonds (distance) C4'-P energy: -102.671
bonds (distance) P-C4' energy: -101.087
flat angles C4'-P-C4' energy: -116.017
flat angles P-C4'-P energy: -70.366
tors. eta vs tors. theta energy: -140.897
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: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1692.426931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.426931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.426931 (E_RNA)
where:
Base-Base interactions energy: -1174.925
where: short stacking energy: -484.227
Base-Backbone interact. energy: -3.821
local terms energy: -513.681360
where:
bonds (distance) C4'-P energy: -101.189
bonds (distance) P-C4' energy: -101.036
flat angles C4'-P-C4' energy: -110.097
flat angles P-C4'-P energy: -73.372
tors. eta vs tors. theta energy: -127.987
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: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1647.493392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.493392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.493392 (E_RNA)
where:
Base-Base interactions energy: -1167.848
where: short stacking energy: -454.754
Base-Backbone interact. energy: -0.740
local terms energy: -478.905143
where:
bonds (distance) C4'-P energy: -97.946
bonds (distance) P-C4' energy: -100.073
flat angles C4'-P-C4' energy: -97.951
flat angles P-C4'-P energy: -66.771
tors. eta vs tors. theta energy: -116.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1493.153786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.153786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.153786 (E_RNA)
where:
Base-Base interactions energy: -1030.738
where: short stacking energy: -437.079
Base-Backbone interact. energy: -3.171
local terms energy: -459.245309
where:
bonds (distance) C4'-P energy: -88.790
bonds (distance) P-C4' energy: -78.561
flat angles C4'-P-C4' energy: -105.205
flat angles P-C4'-P energy: -57.667
tors. eta vs tors. theta energy: -129.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1434.088216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.088216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.088216 (E_RNA)
where:
Base-Base interactions energy: -992.463
where: short stacking energy: -412.932
Base-Backbone interact. energy: 0.162
local terms energy: -441.786823
where:
bonds (distance) C4'-P energy: -85.739
bonds (distance) P-C4' energy: -95.442
flat angles C4'-P-C4' energy: -97.092
flat angles P-C4'-P energy: -70.300
tors. eta vs tors. theta energy: -93.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1370.968951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.968951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.968951 (E_RNA)
where:
Base-Base interactions energy: -990.888
where: short stacking energy: -401.732
Base-Backbone interact. energy: -2.276
local terms energy: -377.804989
where:
bonds (distance) C4'-P energy: -68.164
bonds (distance) P-C4' energy: -83.070
flat angles C4'-P-C4' energy: -87.176
flat angles P-C4'-P energy: -52.189
tors. eta vs tors. theta energy: -87.206
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: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1305.428616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.428616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.428616 (E_RNA)
where:
Base-Base interactions energy: -902.382
where: short stacking energy: -391.649
Base-Backbone interact. energy: 0.292
local terms energy: -403.338703
where:
bonds (distance) C4'-P energy: -74.668
bonds (distance) P-C4' energy: -80.780
flat angles C4'-P-C4' energy: -101.928
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: -88.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1057.789282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.789282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.789282 (E_RNA)
where:
Base-Base interactions energy: -696.326
where: short stacking energy: -318.526
Base-Backbone interact. energy: -2.271
local terms energy: -359.192535
where:
bonds (distance) C4'-P energy: -67.192
bonds (distance) P-C4' energy: -79.139
flat angles C4'-P-C4' energy: -89.771
flat angles P-C4'-P energy: -54.762
tors. eta vs tors. theta energy: -68.328
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: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -548.756206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.756206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.756206 (E_RNA)
where:
Base-Base interactions energy: -279.802
where: short stacking energy: -180.958
Base-Backbone interact. energy: -0.703
local terms energy: -268.250709
where:
bonds (distance) C4'-P energy: -74.534
bonds (distance) P-C4' energy: -64.004
flat angles C4'-P-C4' energy: -73.227
flat angles P-C4'-P energy: -49.155
tors. eta vs tors. theta energy: -7.331
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: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1872.873017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.873017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.873017 (E_RNA)
where:
Base-Base interactions energy: -1310.134
where: short stacking energy: -545.973
Base-Backbone interact. energy: -2.630
local terms energy: -560.109246
where:
bonds (distance) C4'-P energy: -97.524
bonds (distance) P-C4' energy: -107.382
flat angles C4'-P-C4' energy: -121.039
flat angles P-C4'-P energy: -74.083
tors. eta vs tors. theta energy: -160.082
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: 107
Temperature: 0.950000
Total energy: -1768.545172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.545172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.545172 (E_RNA)
where:
Base-Base interactions energy: -1236.428
where: short stacking energy: -488.282
Base-Backbone interact. energy: 0.187
local terms energy: -532.304479
where:
bonds (distance) C4'-P energy: -105.131
bonds (distance) P-C4' energy: -104.853
flat angles C4'-P-C4' energy: -117.926
flat angles P-C4'-P energy: -66.704
tors. eta vs tors. theta energy: -137.690
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: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1748.555642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.555642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.555642 (E_RNA)
where:
Base-Base interactions energy: -1214.683
where: short stacking energy: -504.833
Base-Backbone interact. energy: -4.508
local terms energy: -529.365443
where:
bonds (distance) C4'-P energy: -92.995
bonds (distance) P-C4' energy: -93.913
flat angles C4'-P-C4' energy: -115.282
flat angles P-C4'-P energy: -76.611
tors. eta vs tors. theta energy: -150.564
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: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1622.545275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.545275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.545275 (E_RNA)
where:
Base-Base interactions energy: -1151.464
where: short stacking energy: -460.772
Base-Backbone interact. energy: -3.006
local terms energy: -468.075506
where:
bonds (distance) C4'-P energy: -90.355
bonds (distance) P-C4' energy: -84.870
flat angles C4'-P-C4' energy: -95.282
flat angles P-C4'-P energy: -82.094
tors. eta vs tors. theta energy: -115.474
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: 107
Temperature: 1.100000
Total energy: -1507.019784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.019784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.019784 (E_RNA)
where:
Base-Base interactions energy: -1020.648
where: short stacking energy: -433.891
Base-Backbone interact. energy: -1.597
local terms energy: -484.774791
where:
bonds (distance) C4'-P energy: -107.961
bonds (distance) P-C4' energy: -96.451
flat angles C4'-P-C4' energy: -95.627
flat angles P-C4'-P energy: -64.938
tors. eta vs tors. theta energy: -119.798
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: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1427.462725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.462725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.462725 (E_RNA)
where:
Base-Base interactions energy: -992.239
where: short stacking energy: -419.538
Base-Backbone interact. energy: -1.096
local terms energy: -434.127457
where:
bonds (distance) C4'-P energy: -89.669
bonds (distance) P-C4' energy: -91.439
flat angles C4'-P-C4' energy: -91.400
flat angles P-C4'-P energy: -67.055
tors. eta vs tors. theta energy: -94.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1359.345038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.345038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.345038 (E_RNA)
where:
Base-Base interactions energy: -916.526
where: short stacking energy: -357.381
Base-Backbone interact. energy: -0.622
local terms energy: -442.197267
where:
bonds (distance) C4'-P energy: -99.554
bonds (distance) P-C4' energy: -96.931
flat angles C4'-P-C4' energy: -98.493
flat angles P-C4'-P energy: -64.147
tors. eta vs tors. theta energy: -83.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1294.946395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.946395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.946395 (E_RNA)
where:
Base-Base interactions energy: -897.903
where: short stacking energy: -371.590
Base-Backbone interact. energy: 0.704
local terms energy: -397.747878
where:
bonds (distance) C4'-P energy: -70.686
bonds (distance) P-C4' energy: -89.801
flat angles C4'-P-C4' energy: -89.583
flat angles P-C4'-P energy: -67.028
tors. eta vs tors. theta energy: -80.650
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: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1061.633125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.633125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.633125 (E_RNA)
where:
Base-Base interactions energy: -679.758
where: short stacking energy: -296.866
Base-Backbone interact. energy: 0.884
local terms energy: -382.759333
where:
bonds (distance) C4'-P energy: -78.293
bonds (distance) P-C4' energy: -88.185
flat angles C4'-P-C4' energy: -91.892
flat angles P-C4'-P energy: -56.768
tors. eta vs tors. theta energy: -67.621
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: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -566.333426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.333426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.333426 (E_RNA)
where:
Base-Base interactions energy: -279.558
where: short stacking energy: -163.500
Base-Backbone interact. energy: -2.234
local terms energy: -284.541388
where:
bonds (distance) C4'-P energy: -74.824
bonds (distance) P-C4' energy: -88.689
flat angles C4'-P-C4' energy: -77.086
flat angles P-C4'-P energy: -50.307
tors. eta vs tors. theta energy: 6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1865.603717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.603717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.603717 (E_RNA)
where:
Base-Base interactions energy: -1325.576
where: short stacking energy: -553.790
Base-Backbone interact. energy: 3.547
local terms energy: -543.574463
where:
bonds (distance) C4'-P energy: -105.329
bonds (distance) P-C4' energy: -97.005
flat angles C4'-P-C4' energy: -105.974
flat angles P-C4'-P energy: -83.431
tors. eta vs tors. theta energy: -151.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1767.788892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.788892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.788892 (E_RNA)
where:
Base-Base interactions energy: -1241.726
where: short stacking energy: -520.818
Base-Backbone interact. energy: -1.572
local terms energy: -524.491046
where:
bonds (distance) C4'-P energy: -94.536
bonds (distance) P-C4' energy: -106.235
flat angles C4'-P-C4' energy: -112.717
flat angles P-C4'-P energy: -73.174
tors. eta vs tors. theta energy: -137.831
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: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1702.218183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.218183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.218183 (E_RNA)
where:
Base-Base interactions energy: -1195.337
where: short stacking energy: -487.606
Base-Backbone interact. energy: -3.007
local terms energy: -503.873655
where:
bonds (distance) C4'-P energy: -99.822
bonds (distance) P-C4' energy: -82.355
flat angles C4'-P-C4' energy: -109.868
flat angles P-C4'-P energy: -76.654
tors. eta vs tors. theta energy: -135.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1636.340068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.340068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.340068 (E_RNA)
where:
Base-Base interactions energy: -1155.062
where: short stacking energy: -469.688
Base-Backbone interact. energy: -1.506
local terms energy: -479.771964
where:
bonds (distance) C4'-P energy: -88.243
bonds (distance) P-C4' energy: -90.502
flat angles C4'-P-C4' energy: -106.176
flat angles P-C4'-P energy: -77.864
tors. eta vs tors. theta energy: -116.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1550.258576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.258576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.258576 (E_RNA)
where:
Base-Base interactions energy: -1071.726
where: short stacking energy: -467.409
Base-Backbone interact. energy: -2.489
local terms energy: -476.043065
where:
bonds (distance) C4'-P energy: -87.774
bonds (distance) P-C4' energy: -105.432
flat angles C4'-P-C4' energy: -106.624
flat angles P-C4'-P energy: -62.858
tors. eta vs tors. theta energy: -113.355
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: 108
Temperature: 1.150000
Total energy: -1471.619381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.619381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.619381 (E_RNA)
where:
Base-Base interactions energy: -1029.429
where: short stacking energy: -427.314
Base-Backbone interact. energy: 2.709
local terms energy: -444.899219
where:
bonds (distance) C4'-P energy: -90.339
bonds (distance) P-C4' energy: -96.324
flat angles C4'-P-C4' energy: -100.396
flat angles P-C4'-P energy: -57.622
tors. eta vs tors. theta energy: -100.219
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: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1336.820800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.820800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.820800 (E_RNA)
where:
Base-Base interactions energy: -925.617
where: short stacking energy: -387.632
Base-Backbone interact. energy: -2.035
local terms energy: -409.168284
where:
bonds (distance) C4'-P energy: -75.988
bonds (distance) P-C4' energy: -86.760
flat angles C4'-P-C4' energy: -103.178
flat angles P-C4'-P energy: -55.446
tors. eta vs tors. theta energy: -87.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1251.593843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.593843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.593843 (E_RNA)
where:
Base-Base interactions energy: -870.814
where: short stacking energy: -348.664
Base-Backbone interact. energy: -3.644
local terms energy: -377.135357
where:
bonds (distance) C4'-P energy: -77.783
bonds (distance) P-C4' energy: -73.022
flat angles C4'-P-C4' energy: -89.474
flat angles P-C4'-P energy: -65.122
tors. eta vs tors. theta energy: -71.735
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: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1063.675090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.675090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.675090 (E_RNA)
where:
Base-Base interactions energy: -718.043
where: short stacking energy: -297.285
Base-Backbone interact. energy: -0.340
local terms energy: -345.291906
where:
bonds (distance) C4'-P energy: -81.048
bonds (distance) P-C4' energy: -84.771
flat angles C4'-P-C4' energy: -87.147
flat angles P-C4'-P energy: -47.753
tors. eta vs tors. theta energy: -44.573
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: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -611.281874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.281874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.281874 (E_RNA)
where:
Base-Base interactions energy: -289.720
where: short stacking energy: -174.342
Base-Backbone interact. energy: -0.895
local terms energy: -320.666080
where:
bonds (distance) C4'-P energy: -80.142
bonds (distance) P-C4' energy: -85.827
flat angles C4'-P-C4' energy: -97.024
flat angles P-C4'-P energy: -50.064
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1876.595763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.595763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.595763 (E_RNA)
where:
Base-Base interactions energy: -1327.083
where: short stacking energy: -553.691
Base-Backbone interact. energy: -3.019
local terms energy: -546.493648
where:
bonds (distance) C4'-P energy: -102.812
bonds (distance) P-C4' energy: -97.825
flat angles C4'-P-C4' energy: -110.095
flat angles P-C4'-P energy: -81.311
tors. eta vs tors. theta energy: -154.451
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: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1767.729784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.729784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.729784 (E_RNA)
where:
Base-Base interactions energy: -1243.291
where: short stacking energy: -478.601
Base-Backbone interact. energy: -2.559
local terms energy: -521.880611
where:
bonds (distance) C4'-P energy: -104.141
bonds (distance) P-C4' energy: -92.425
flat angles C4'-P-C4' energy: -114.689
flat angles P-C4'-P energy: -70.263
tors. eta vs tors. theta energy: -140.363
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: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1748.670845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.670845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.670845 (E_RNA)
where:
Base-Base interactions energy: -1218.375
where: short stacking energy: -532.466
Base-Backbone interact. energy: -5.033
local terms energy: -525.263418
where:
bonds (distance) C4'-P energy: -93.402
bonds (distance) P-C4' energy: -107.848
flat angles C4'-P-C4' energy: -112.981
flat angles P-C4'-P energy: -74.739
tors. eta vs tors. theta energy: -136.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1598.361049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.361049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.361049 (E_RNA)
where:
Base-Base interactions energy: -1117.979
where: short stacking energy: -474.194
Base-Backbone interact. energy: 2.228
local terms energy: -482.609432
where:
bonds (distance) C4'-P energy: -92.277
bonds (distance) P-C4' energy: -99.454
flat angles C4'-P-C4' energy: -108.894
flat angles P-C4'-P energy: -63.290
tors. eta vs tors. theta energy: -118.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1532.298745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.298745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.298745 (E_RNA)
where:
Base-Base interactions energy: -1073.180
where: short stacking energy: -449.687
Base-Backbone interact. energy: -1.652
local terms energy: -457.466637
where:
bonds (distance) C4'-P energy: -81.275
bonds (distance) P-C4' energy: -97.960
flat angles C4'-P-C4' energy: -94.770
flat angles P-C4'-P energy: -70.707
tors. eta vs tors. theta energy: -112.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1477.170317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.170317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.170317 (E_RNA)
where:
Base-Base interactions energy: -1036.161
where: short stacking energy: -435.079
Base-Backbone interact. energy: -0.563
local terms energy: -440.446374
where:
bonds (distance) C4'-P energy: -90.022
bonds (distance) P-C4' energy: -95.500
flat angles C4'-P-C4' energy: -91.589
flat angles P-C4'-P energy: -54.073
tors. eta vs tors. theta energy: -109.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1363.420041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.420041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.420041 (E_RNA)
where:
Base-Base interactions energy: -977.073
where: short stacking energy: -376.262
Base-Backbone interact. energy: 7.078
local terms energy: -393.424570
where:
bonds (distance) C4'-P energy: -67.336
bonds (distance) P-C4' energy: -87.222
flat angles C4'-P-C4' energy: -102.658
flat angles P-C4'-P energy: -48.701
tors. eta vs tors. theta energy: -87.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1264.254134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.254134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.254134 (E_RNA)
where:
Base-Base interactions energy: -854.769
where: short stacking energy: -317.646
Base-Backbone interact. energy: -2.717
local terms energy: -406.767714
where:
bonds (distance) C4'-P energy: -81.910
bonds (distance) P-C4' energy: -83.164
flat angles C4'-P-C4' energy: -94.106
flat angles P-C4'-P energy: -73.803
tors. eta vs tors. theta energy: -73.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1082.238335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.238335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.238335 (E_RNA)
where:
Base-Base interactions energy: -690.521
where: short stacking energy: -310.410
Base-Backbone interact. energy: -0.536
local terms energy: -391.181538
where:
bonds (distance) C4'-P energy: -81.799
bonds (distance) P-C4' energy: -92.224
flat angles C4'-P-C4' energy: -102.719
flat angles P-C4'-P energy: -46.898
tors. eta vs tors. theta energy: -67.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -604.650986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.650986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.650986 (E_RNA)
where:
Base-Base interactions energy: -324.986
where: short stacking energy: -174.549
Base-Backbone interact. energy: -0.493
local terms energy: -279.171983
where:
bonds (distance) C4'-P energy: -79.596
bonds (distance) P-C4' energy: -87.424
flat angles C4'-P-C4' energy: -67.284
flat angles P-C4'-P energy: -34.015
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1852.518226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.518226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.518226 (E_RNA)
where:
Base-Base interactions energy: -1296.593
where: short stacking energy: -526.056
Base-Backbone interact. energy: -2.902
local terms energy: -553.023077
where:
bonds (distance) C4'-P energy: -105.753
bonds (distance) P-C4' energy: -105.887
flat angles C4'-P-C4' energy: -115.028
flat angles P-C4'-P energy: -78.664
tors. eta vs tors. theta energy: -147.691
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: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1784.997746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.997746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.997746 (E_RNA)
where:
Base-Base interactions energy: -1259.226
where: short stacking energy: -488.301
Base-Backbone interact. energy: -2.457
local terms energy: -523.314806
where:
bonds (distance) C4'-P energy: -85.395
bonds (distance) P-C4' energy: -104.566
flat angles C4'-P-C4' energy: -114.263
flat angles P-C4'-P energy: -76.757
tors. eta vs tors. theta energy: -142.334
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: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1751.095654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.095654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.095654 (E_RNA)
where:
Base-Base interactions energy: -1254.397
where: short stacking energy: -507.253
Base-Backbone interact. energy: -1.040
local terms energy: -495.659126
where:
bonds (distance) C4'-P energy: -84.315
bonds (distance) P-C4' energy: -96.772
flat angles C4'-P-C4' energy: -113.155
flat angles P-C4'-P energy: -65.140
tors. eta vs tors. theta energy: -136.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1671.528311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.528311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.528311 (E_RNA)
where:
Base-Base interactions energy: -1176.917
where: short stacking energy: -483.667
Base-Backbone interact. energy: -1.463
local terms energy: -493.148382
where:
bonds (distance) C4'-P energy: -89.530
bonds (distance) P-C4' energy: -95.864
flat angles C4'-P-C4' energy: -109.627
flat angles P-C4'-P energy: -66.304
tors. eta vs tors. theta energy: -131.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1590.982411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.982411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.982411 (E_RNA)
where:
Base-Base interactions energy: -1111.761
where: short stacking energy: -460.670
Base-Backbone interact. energy: 0.819
local terms energy: -480.040575
where:
bonds (distance) C4'-P energy: -83.788
bonds (distance) P-C4' energy: -88.420
flat angles C4'-P-C4' energy: -110.642
flat angles P-C4'-P energy: -72.529
tors. eta vs tors. theta energy: -124.663
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: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1484.755653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.755653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.755653 (E_RNA)
where:
Base-Base interactions energy: -1052.862
where: short stacking energy: -417.072
Base-Backbone interact. energy: -0.851
local terms energy: -431.042605
where:
bonds (distance) C4'-P energy: -72.138
bonds (distance) P-C4' energy: -107.010
flat angles C4'-P-C4' energy: -98.393
flat angles P-C4'-P energy: -54.667
tors. eta vs tors. theta energy: -98.835
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: 110
Temperature: 1.200000
Total energy: -1311.269289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.269289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.269289 (E_RNA)
where:
Base-Base interactions energy: -872.345
where: short stacking energy: -374.650
Base-Backbone interact. energy: -1.795
local terms energy: -437.129090
where:
bonds (distance) C4'-P energy: -72.064
bonds (distance) P-C4' energy: -98.734
flat angles C4'-P-C4' energy: -102.137
flat angles P-C4'-P energy: -69.601
tors. eta vs tors. theta energy: -94.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1347.208744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.208744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.208744 (E_RNA)
where:
Base-Base interactions energy: -918.976
where: short stacking energy: -355.022
Base-Backbone interact. energy: -4.348
local terms energy: -423.884747
where:
bonds (distance) C4'-P energy: -90.223
bonds (distance) P-C4' energy: -81.025
flat angles C4'-P-C4' energy: -115.996
flat angles P-C4'-P energy: -53.809
tors. eta vs tors. theta energy: -82.833
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: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1111.764700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.764700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.764700 (E_RNA)
where:
Base-Base interactions energy: -722.363
where: short stacking energy: -310.861
Base-Backbone interact. energy: -2.358
local terms energy: -387.043881
where:
bonds (distance) C4'-P energy: -78.905
bonds (distance) P-C4' energy: -95.408
flat angles C4'-P-C4' energy: -79.499
flat angles P-C4'-P energy: -58.612
tors. eta vs tors. theta energy: -74.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -547.792151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.792151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.792151 (E_RNA)
where:
Base-Base interactions energy: -245.245
where: short stacking energy: -140.301
Base-Backbone interact. energy: -1.576
local terms energy: -300.970898
where:
bonds (distance) C4'-P energy: -80.829
bonds (distance) P-C4' energy: -102.870
flat angles C4'-P-C4' energy: -73.948
flat angles P-C4'-P energy: -56.551
tors. eta vs tors. theta energy: 13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1871.086193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.086193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.086193 (E_RNA)
where:
Base-Base interactions energy: -1319.850
where: short stacking energy: -544.804
Base-Backbone interact. energy: -1.982
local terms energy: -549.254553
where:
bonds (distance) C4'-P energy: -102.182
bonds (distance) P-C4' energy: -102.351
flat angles C4'-P-C4' energy: -115.099
flat angles P-C4'-P energy: -84.189
tors. eta vs tors. theta energy: -145.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1797.951306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.951306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.951306 (E_RNA)
where:
Base-Base interactions energy: -1283.503
where: short stacking energy: -520.051
Base-Backbone interact. energy: -6.968
local terms energy: -507.479743
where:
bonds (distance) C4'-P energy: -100.256
bonds (distance) P-C4' energy: -90.551
flat angles C4'-P-C4' energy: -107.067
flat angles P-C4'-P energy: -70.884
tors. eta vs tors. theta energy: -138.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1707.430443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.430443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.430443 (E_RNA)
where:
Base-Base interactions energy: -1192.720
where: short stacking energy: -472.298
Base-Backbone interact. energy: -4.536
local terms energy: -510.174177
where:
bonds (distance) C4'-P energy: -87.737
bonds (distance) P-C4' energy: -110.389
flat angles C4'-P-C4' energy: -115.175
flat angles P-C4'-P energy: -73.772
tors. eta vs tors. theta energy: -123.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1683.241527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.241527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.241527 (E_RNA)
where:
Base-Base interactions energy: -1189.362
where: short stacking energy: -473.744
Base-Backbone interact. energy: -1.522
local terms energy: -492.357873
where:
bonds (distance) C4'-P energy: -93.682
bonds (distance) P-C4' energy: -98.827
flat angles C4'-P-C4' energy: -105.390
flat angles P-C4'-P energy: -61.433
tors. eta vs tors. theta energy: -133.025
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: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1590.445863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.445863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.445863 (E_RNA)
where:
Base-Base interactions energy: -1109.409
where: short stacking energy: -441.750
Base-Backbone interact. energy: -2.487
local terms energy: -478.550173
where:
bonds (distance) C4'-P energy: -99.221
bonds (distance) P-C4' energy: -85.474
flat angles C4'-P-C4' energy: -111.515
flat angles P-C4'-P energy: -59.282
tors. eta vs tors. theta energy: -123.058
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: 111
Temperature: 1.150000
Total energy: -1513.572662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.572662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.572662 (E_RNA)
where:
Base-Base interactions energy: -1088.989
where: short stacking energy: -443.427
Base-Backbone interact. energy: -1.090
local terms energy: -423.493882
where:
bonds (distance) C4'-P energy: -79.738
bonds (distance) P-C4' energy: -87.733
flat angles C4'-P-C4' energy: -104.952
flat angles P-C4'-P energy: -50.582
tors. eta vs tors. theta energy: -100.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1356.305420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.305420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.305420 (E_RNA)
where:
Base-Base interactions energy: -947.411
where: short stacking energy: -385.163
Base-Backbone interact. energy: 5.390
local terms energy: -414.284028
where:
bonds (distance) C4'-P energy: -86.389
bonds (distance) P-C4' energy: -93.003
flat angles C4'-P-C4' energy: -78.845
flat angles P-C4'-P energy: -69.040
tors. eta vs tors. theta energy: -87.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1335.328695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.328695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.328695 (E_RNA)
where:
Base-Base interactions energy: -934.597
where: short stacking energy: -381.110
Base-Backbone interact. energy: -1.972
local terms energy: -398.759732
where:
bonds (distance) C4'-P energy: -88.039
bonds (distance) P-C4' energy: -82.228
flat angles C4'-P-C4' energy: -87.357
flat angles P-C4'-P energy: -66.610
tors. eta vs tors. theta energy: -74.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1107.225897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.225897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.225897 (E_RNA)
where:
Base-Base interactions energy: -736.809
where: short stacking energy: -303.071
Base-Backbone interact. energy: 2.436
local terms energy: -372.853070
where:
bonds (distance) C4'-P energy: -88.716
bonds (distance) P-C4' energy: -78.266
flat angles C4'-P-C4' energy: -66.065
flat angles P-C4'-P energy: -66.598
tors. eta vs tors. theta energy: -73.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -581.996204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.996204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.996204 (E_RNA)
where:
Base-Base interactions energy: -290.488
where: short stacking energy: -167.604
Base-Backbone interact. energy: 1.057
local terms energy: -292.564521
where:
bonds (distance) C4'-P energy: -96.367
bonds (distance) P-C4' energy: -95.907
flat angles C4'-P-C4' energy: -62.627
flat angles P-C4'-P energy: -41.066
tors. eta vs tors. theta energy: 3.404
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: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1817.271608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.271608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.271608 (E_RNA)
where:
Base-Base interactions energy: -1289.337
where: short stacking energy: -531.580
Base-Backbone interact. energy: -3.944
local terms energy: -523.990292
where:
bonds (distance) C4'-P energy: -102.262
bonds (distance) P-C4' energy: -96.308
flat angles C4'-P-C4' energy: -112.995
flat angles P-C4'-P energy: -73.476
tors. eta vs tors. theta energy: -138.950
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: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1820.957728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.957728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.957728 (E_RNA)
where:
Base-Base interactions energy: -1266.142
where: short stacking energy: -536.771
Base-Backbone interact. energy: -2.146
local terms energy: -552.669611
where:
bonds (distance) C4'-P energy: -95.460
bonds (distance) P-C4' energy: -101.632
flat angles C4'-P-C4' energy: -117.527
flat angles P-C4'-P energy: -87.081
tors. eta vs tors. theta energy: -150.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1699.780890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.780890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.780890 (E_RNA)
where:
Base-Base interactions energy: -1180.149
where: short stacking energy: -483.733
Base-Backbone interact. energy: -2.957
local terms energy: -516.674908
where:
bonds (distance) C4'-P energy: -107.398
bonds (distance) P-C4' energy: -96.063
flat angles C4'-P-C4' energy: -110.800
flat angles P-C4'-P energy: -69.289
tors. eta vs tors. theta energy: -133.125
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: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1635.831208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.831208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.831208 (E_RNA)
where:
Base-Base interactions energy: -1137.766
where: short stacking energy: -467.377
Base-Backbone interact. energy: -1.993
local terms energy: -496.072367
where:
bonds (distance) C4'-P energy: -88.828
bonds (distance) P-C4' energy: -95.768
flat angles C4'-P-C4' energy: -109.514
flat angles P-C4'-P energy: -79.026
tors. eta vs tors. theta energy: -122.936
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: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1581.813292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.813292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.813292 (E_RNA)
where:
Base-Base interactions energy: -1129.106
where: short stacking energy: -449.782
Base-Backbone interact. energy: -0.490
local terms energy: -452.217623
where:
bonds (distance) C4'-P energy: -91.484
bonds (distance) P-C4' energy: -94.143
flat angles C4'-P-C4' energy: -94.880
flat angles P-C4'-P energy: -61.397
tors. eta vs tors. theta energy: -110.313
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: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1468.204332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.204332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.204332 (E_RNA)
where:
Base-Base interactions energy: -1017.565
where: short stacking energy: -432.896
Base-Backbone interact. energy: -1.848
local terms energy: -448.792058
where:
bonds (distance) C4'-P energy: -93.926
bonds (distance) P-C4' energy: -81.463
flat angles C4'-P-C4' energy: -102.838
flat angles P-C4'-P energy: -55.626
tors. eta vs tors. theta energy: -114.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1350.066579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.066579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.066579 (E_RNA)
where:
Base-Base interactions energy: -928.855
where: short stacking energy: -381.517
Base-Backbone interact. energy: -3.744
local terms energy: -417.468224
where:
bonds (distance) C4'-P energy: -78.540
bonds (distance) P-C4' energy: -104.953
flat angles C4'-P-C4' energy: -91.985
flat angles P-C4'-P energy: -58.526
tors. eta vs tors. theta energy: -83.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1291.000002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.000002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.000002 (E_RNA)
where:
Base-Base interactions energy: -884.227
where: short stacking energy: -368.971
Base-Backbone interact. energy: 0.293
local terms energy: -407.065922
where:
bonds (distance) C4'-P energy: -71.199
bonds (distance) P-C4' energy: -82.885
flat angles C4'-P-C4' energy: -105.497
flat angles P-C4'-P energy: -53.307
tors. eta vs tors. theta energy: -94.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1039.427754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.427754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.427754 (E_RNA)
where:
Base-Base interactions energy: -677.171
where: short stacking energy: -275.584
Base-Backbone interact. energy: 6.908
local terms energy: -369.164564
where:
bonds (distance) C4'-P energy: -94.619
bonds (distance) P-C4' energy: -86.453
flat angles C4'-P-C4' energy: -87.892
flat angles P-C4'-P energy: -55.285
tors. eta vs tors. theta energy: -44.915
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: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -549.715938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.715938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.715938 (E_RNA)
where:
Base-Base interactions energy: -285.771
where: short stacking energy: -182.257
Base-Backbone interact. energy: 3.186
local terms energy: -267.131792
where:
bonds (distance) C4'-P energy: -79.880
bonds (distance) P-C4' energy: -92.468
flat angles C4'-P-C4' energy: -56.741
flat angles P-C4'-P energy: -35.620
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1856.256057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.256057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.256057 (E_RNA)
where:
Base-Base interactions energy: -1319.665
where: short stacking energy: -520.342
Base-Backbone interact. energy: -7.217
local terms energy: -529.373913
where:
bonds (distance) C4'-P energy: -98.426
bonds (distance) P-C4' energy: -94.979
flat angles C4'-P-C4' energy: -111.775
flat angles P-C4'-P energy: -78.642
tors. eta vs tors. theta energy: -145.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1809.406248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.406248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.406248 (E_RNA)
where:
Base-Base interactions energy: -1272.232
where: short stacking energy: -519.749
Base-Backbone interact. energy: -2.614
local terms energy: -534.559732
where:
bonds (distance) C4'-P energy: -101.817
bonds (distance) P-C4' energy: -96.405
flat angles C4'-P-C4' energy: -113.740
flat angles P-C4'-P energy: -79.742
tors. eta vs tors. theta energy: -142.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1675.394976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.394976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.394976 (E_RNA)
where:
Base-Base interactions energy: -1163.476
where: short stacking energy: -460.763
Base-Backbone interact. energy: -3.559
local terms energy: -508.359929
where:
bonds (distance) C4'-P energy: -85.164
bonds (distance) P-C4' energy: -104.438
flat angles C4'-P-C4' energy: -108.363
flat angles P-C4'-P energy: -82.759
tors. eta vs tors. theta energy: -127.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1656.045143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.045143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.045143 (E_RNA)
where:
Base-Base interactions energy: -1183.246
where: short stacking energy: -464.072
Base-Backbone interact. energy: 1.997
local terms energy: -474.795850
where:
bonds (distance) C4'-P energy: -81.979
bonds (distance) P-C4' energy: -87.796
flat angles C4'-P-C4' energy: -109.886
flat angles P-C4'-P energy: -74.471
tors. eta vs tors. theta energy: -120.663
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: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1530.196705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.196705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.196705 (E_RNA)
where:
Base-Base interactions energy: -1072.576
where: short stacking energy: -430.756
Base-Backbone interact. energy: 1.123
local terms energy: -458.743957
where:
bonds (distance) C4'-P energy: -89.531
bonds (distance) P-C4' energy: -89.743
flat angles C4'-P-C4' energy: -104.719
flat angles P-C4'-P energy: -74.686
tors. eta vs tors. theta energy: -100.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1494.546856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.546856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.546856 (E_RNA)
where:
Base-Base interactions energy: -1041.373
where: short stacking energy: -434.734
Base-Backbone interact. energy: -2.395
local terms energy: -450.779345
where:
bonds (distance) C4'-P energy: -102.711
bonds (distance) P-C4' energy: -89.541
flat angles C4'-P-C4' energy: -93.509
flat angles P-C4'-P energy: -53.139
tors. eta vs tors. theta energy: -111.879
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: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1391.222017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.222017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.222017 (E_RNA)
where:
Base-Base interactions energy: -982.078
where: short stacking energy: -400.354
Base-Backbone interact. energy: 1.567
local terms energy: -410.710384
where:
bonds (distance) C4'-P energy: -74.166
bonds (distance) P-C4' energy: -89.314
flat angles C4'-P-C4' energy: -95.793
flat angles P-C4'-P energy: -69.470
tors. eta vs tors. theta energy: -81.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1292.602222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.602222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.602222 (E_RNA)
where:
Base-Base interactions energy: -867.493
where: short stacking energy: -373.414
Base-Backbone interact. energy: -0.474
local terms energy: -424.635246
where:
bonds (distance) C4'-P energy: -81.235
bonds (distance) P-C4' energy: -97.744
flat angles C4'-P-C4' energy: -99.505
flat angles P-C4'-P energy: -55.857
tors. eta vs tors. theta energy: -90.295
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: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1083.153044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.153044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.153044 (E_RNA)
where:
Base-Base interactions energy: -704.381
where: short stacking energy: -310.817
Base-Backbone interact. energy: -0.190
local terms energy: -378.582514
where:
bonds (distance) C4'-P energy: -82.873
bonds (distance) P-C4' energy: -93.043
flat angles C4'-P-C4' energy: -88.296
flat angles P-C4'-P energy: -50.608
tors. eta vs tors. theta energy: -63.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -593.932491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.932491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.932491 (E_RNA)
where:
Base-Base interactions energy: -288.026
where: short stacking energy: -146.118
Base-Backbone interact. energy: 2.000
local terms energy: -307.906460
where:
bonds (distance) C4'-P energy: -85.305
bonds (distance) P-C4' energy: -105.785
flat angles C4'-P-C4' energy: -85.299
flat angles P-C4'-P energy: -41.039
tors. eta vs tors. theta energy: 9.520
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: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1865.582770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.582770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.582770 (E_RNA)
where:
Base-Base interactions energy: -1303.607
where: short stacking energy: -517.414
Base-Backbone interact. energy: -4.466
local terms energy: -557.509392
where:
bonds (distance) C4'-P energy: -106.341
bonds (distance) P-C4' energy: -110.427
flat angles C4'-P-C4' energy: -120.584
flat angles P-C4'-P energy: -72.817
tors. eta vs tors. theta energy: -147.340
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: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1812.555696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.555696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.555696 (E_RNA)
where:
Base-Base interactions energy: -1293.241
where: short stacking energy: -517.352
Base-Backbone interact. energy: 2.340
local terms energy: -521.655225
where:
bonds (distance) C4'-P energy: -96.299
bonds (distance) P-C4' energy: -93.441
flat angles C4'-P-C4' energy: -116.409
flat angles P-C4'-P energy: -67.682
tors. eta vs tors. theta energy: -147.825
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: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1698.490302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.490302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.490302 (E_RNA)
where:
Base-Base interactions energy: -1188.962
where: short stacking energy: -491.095
Base-Backbone interact. energy: 2.237
local terms energy: -511.765960
where:
bonds (distance) C4'-P energy: -90.544
bonds (distance) P-C4' energy: -95.020
flat angles C4'-P-C4' energy: -112.945
flat angles P-C4'-P energy: -85.066
tors. eta vs tors. theta energy: -128.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1640.121527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.121527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.121527 (E_RNA)
where:
Base-Base interactions energy: -1160.558
where: short stacking energy: -454.950
Base-Backbone interact. energy: -0.111
local terms energy: -479.452993
where:
bonds (distance) C4'-P energy: -98.994
bonds (distance) P-C4' energy: -95.404
flat angles C4'-P-C4' energy: -110.225
flat angles P-C4'-P energy: -60.340
tors. eta vs tors. theta energy: -114.490
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: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1542.054528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.054528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.054528 (E_RNA)
where:
Base-Base interactions energy: -1083.949
where: short stacking energy: -439.908
Base-Backbone interact. energy: -2.903
local terms energy: -455.202447
where:
bonds (distance) C4'-P energy: -84.475
bonds (distance) P-C4' energy: -95.516
flat angles C4'-P-C4' energy: -106.010
flat angles P-C4'-P energy: -63.641
tors. eta vs tors. theta energy: -105.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1483.210193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.210193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.210193 (E_RNA)
where:
Base-Base interactions energy: -1037.902
where: short stacking energy: -436.907
Base-Backbone interact. energy: 2.423
local terms energy: -447.730930
where:
bonds (distance) C4'-P energy: -81.176
bonds (distance) P-C4' energy: -90.340
flat angles C4'-P-C4' energy: -91.366
flat angles P-C4'-P energy: -72.465
tors. eta vs tors. theta energy: -112.385
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: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1332.347373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.347373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.347373 (E_RNA)
where:
Base-Base interactions energy: -926.734
where: short stacking energy: -393.778
Base-Backbone interact. energy: 1.154
local terms energy: -406.767116
where:
bonds (distance) C4'-P energy: -84.865
bonds (distance) P-C4' energy: -78.617
flat angles C4'-P-C4' energy: -86.999
flat angles P-C4'-P energy: -59.525
tors. eta vs tors. theta energy: -96.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1377.524138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.524138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.524138 (E_RNA)
where:
Base-Base interactions energy: -970.556
where: short stacking energy: -396.344
Base-Backbone interact. energy: -3.452
local terms energy: -403.515998
where:
bonds (distance) C4'-P energy: -78.363
bonds (distance) P-C4' energy: -88.711
flat angles C4'-P-C4' energy: -94.318
flat angles P-C4'-P energy: -51.036
tors. eta vs tors. theta energy: -91.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1094.819712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.819712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.819712 (E_RNA)
where:
Base-Base interactions energy: -728.114
where: short stacking energy: -323.291
Base-Backbone interact. energy: -1.059
local terms energy: -365.646583
where:
bonds (distance) C4'-P energy: -68.937
bonds (distance) P-C4' energy: -81.740
flat angles C4'-P-C4' energy: -98.173
flat angles P-C4'-P energy: -50.533
tors. eta vs tors. theta energy: -66.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -576.583012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.583012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.583012 (E_RNA)
where:
Base-Base interactions energy: -276.500
where: short stacking energy: -160.209
Base-Backbone interact. energy: 0.125
local terms energy: -300.208561
where:
bonds (distance) C4'-P energy: -81.188
bonds (distance) P-C4' energy: -73.701
flat angles C4'-P-C4' energy: -84.071
flat angles P-C4'-P energy: -50.561
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1863.187284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.187284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.187284 (E_RNA)
where:
Base-Base interactions energy: -1326.510
where: short stacking energy: -515.538
Base-Backbone interact. energy: -2.022
local terms energy: -534.655869
where:
bonds (distance) C4'-P energy: -94.476
bonds (distance) P-C4' energy: -102.243
flat angles C4'-P-C4' energy: -117.999
flat angles P-C4'-P energy: -72.560
tors. eta vs tors. theta energy: -147.378
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: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1811.755994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.755994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.755994 (E_RNA)
where:
Base-Base interactions energy: -1277.305
where: short stacking energy: -514.319
Base-Backbone interact. energy: -4.548
local terms energy: -529.902875
where:
bonds (distance) C4'-P energy: -96.842
bonds (distance) P-C4' energy: -104.806
flat angles C4'-P-C4' energy: -108.781
flat angles P-C4'-P energy: -79.842
tors. eta vs tors. theta energy: -139.632
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: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1719.852318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.852318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.852318 (E_RNA)
where:
Base-Base interactions energy: -1228.374
where: short stacking energy: -484.415
Base-Backbone interact. energy: -0.928
local terms energy: -490.550695
where:
bonds (distance) C4'-P energy: -88.315
bonds (distance) P-C4' energy: -91.807
flat angles C4'-P-C4' energy: -105.260
flat angles P-C4'-P energy: -80.327
tors. eta vs tors. theta energy: -124.841
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: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1590.014085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.014085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.014085 (E_RNA)
where:
Base-Base interactions energy: -1105.140
where: short stacking energy: -452.561
Base-Backbone interact. energy: -2.936
local terms energy: -481.937737
where:
bonds (distance) C4'-P energy: -95.086
bonds (distance) P-C4' energy: -89.858
flat angles C4'-P-C4' energy: -100.100
flat angles P-C4'-P energy: -74.915
tors. eta vs tors. theta energy: -121.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1574.011521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.011521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.011521 (E_RNA)
where:
Base-Base interactions energy: -1091.498
where: short stacking energy: -448.147
Base-Backbone interact. energy: -1.941
local terms energy: -480.572069
where:
bonds (distance) C4'-P energy: -92.733
bonds (distance) P-C4' energy: -89.228
flat angles C4'-P-C4' energy: -104.090
flat angles P-C4'-P energy: -74.605
tors. eta vs tors. theta energy: -119.916
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: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1498.912231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.912231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.912231 (E_RNA)
where:
Base-Base interactions energy: -1024.375
where: short stacking energy: -411.984
Base-Backbone interact. energy: -2.142
local terms energy: -472.394481
where:
bonds (distance) C4'-P energy: -91.800
bonds (distance) P-C4' energy: -101.940
flat angles C4'-P-C4' energy: -106.206
flat angles P-C4'-P energy: -63.502
tors. eta vs tors. theta energy: -108.946
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: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1367.825321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.825321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.825321 (E_RNA)
where:
Base-Base interactions energy: -955.903
where: short stacking energy: -389.745
Base-Backbone interact. energy: -3.356
local terms energy: -408.565493
where:
bonds (distance) C4'-P energy: -76.926
bonds (distance) P-C4' energy: -88.098
flat angles C4'-P-C4' energy: -97.527
flat angles P-C4'-P energy: -58.113
tors. eta vs tors. theta energy: -87.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1398.796054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.796054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.796054 (E_RNA)
where:
Base-Base interactions energy: -970.782
where: short stacking energy: -402.731
Base-Backbone interact. energy: -1.753
local terms energy: -426.260835
where:
bonds (distance) C4'-P energy: -95.643
bonds (distance) P-C4' energy: -86.924
flat angles C4'-P-C4' energy: -88.358
flat angles P-C4'-P energy: -60.224
tors. eta vs tors. theta energy: -95.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1088.593044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.593044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.593044 (E_RNA)
where:
Base-Base interactions energy: -723.594
where: short stacking energy: -324.104
Base-Backbone interact. energy: 0.622
local terms energy: -365.621851
where:
bonds (distance) C4'-P energy: -83.289
bonds (distance) P-C4' energy: -78.226
flat angles C4'-P-C4' energy: -84.343
flat angles P-C4'-P energy: -49.462
tors. eta vs tors. theta energy: -70.301
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: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -595.516352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.516352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.516352 (E_RNA)
where:
Base-Base interactions energy: -295.355
where: short stacking energy: -165.345
Base-Backbone interact. energy: -0.723
local terms energy: -299.437713
where:
bonds (distance) C4'-P energy: -90.648
bonds (distance) P-C4' energy: -81.394
flat angles C4'-P-C4' energy: -72.389
flat angles P-C4'-P energy: -54.097
tors. eta vs tors. theta energy: -0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1869.547284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.547284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.547284 (E_RNA)
where:
Base-Base interactions energy: -1316.003
where: short stacking energy: -527.891
Base-Backbone interact. energy: -2.978
local terms energy: -550.566504
where:
bonds (distance) C4'-P energy: -102.397
bonds (distance) P-C4' energy: -104.222
flat angles C4'-P-C4' energy: -117.089
flat angles P-C4'-P energy: -77.847
tors. eta vs tors. theta energy: -149.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1792.642935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.642935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.642935 (E_RNA)
where:
Base-Base interactions energy: -1264.581
where: short stacking energy: -512.334
Base-Backbone interact. energy: -2.962
local terms energy: -525.099894
where:
bonds (distance) C4'-P energy: -95.631
bonds (distance) P-C4' energy: -111.539
flat angles C4'-P-C4' energy: -111.384
flat angles P-C4'-P energy: -62.878
tors. eta vs tors. theta energy: -143.668
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: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1720.516102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.516102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.516102 (E_RNA)
where:
Base-Base interactions energy: -1208.601
where: short stacking energy: -474.227
Base-Backbone interact. energy: 4.449
local terms energy: -516.364226
where:
bonds (distance) C4'-P energy: -97.548
bonds (distance) P-C4' energy: -110.054
flat angles C4'-P-C4' energy: -109.394
flat angles P-C4'-P energy: -83.907
tors. eta vs tors. theta energy: -115.461
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: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1594.590191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.590191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.590191 (E_RNA)
where:
Base-Base interactions energy: -1127.751
where: short stacking energy: -466.090
Base-Backbone interact. energy: 2.405
local terms energy: -469.243935
where:
bonds (distance) C4'-P energy: -95.280
bonds (distance) P-C4' energy: -91.861
flat angles C4'-P-C4' energy: -89.905
flat angles P-C4'-P energy: -66.372
tors. eta vs tors. theta energy: -125.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1534.979543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.979543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.979543 (E_RNA)
where:
Base-Base interactions energy: -1040.517
where: short stacking energy: -429.983
Base-Backbone interact. energy: -1.573
local terms energy: -492.889718
where:
bonds (distance) C4'-P energy: -78.454
bonds (distance) P-C4' energy: -100.714
flat angles C4'-P-C4' energy: -112.985
flat angles P-C4'-P energy: -83.235
tors. eta vs tors. theta energy: -117.502
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: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1518.070169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.070169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.070169 (E_RNA)
where:
Base-Base interactions energy: -1058.592
where: short stacking energy: -409.525
Base-Backbone interact. energy: 0.468
local terms energy: -459.945868
where:
bonds (distance) C4'-P energy: -91.568
bonds (distance) P-C4' energy: -103.779
flat angles C4'-P-C4' energy: -93.233
flat angles P-C4'-P energy: -66.121
tors. eta vs tors. theta energy: -105.245
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: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1409.279029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.279029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.279029 (E_RNA)
where:
Base-Base interactions energy: -983.510
where: short stacking energy: -396.426
Base-Backbone interact. energy: 1.478
local terms energy: -427.247114
where:
bonds (distance) C4'-P energy: -78.583
bonds (distance) P-C4' energy: -84.458
flat angles C4'-P-C4' energy: -99.841
flat angles P-C4'-P energy: -65.664
tors. eta vs tors. theta energy: -98.701
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: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1325.528593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.528593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.528593 (E_RNA)
where:
Base-Base interactions energy: -931.238
where: short stacking energy: -381.419
Base-Backbone interact. energy: 0.970
local terms energy: -395.260802
where:
bonds (distance) C4'-P energy: -87.592
bonds (distance) P-C4' energy: -71.027
flat angles C4'-P-C4' energy: -90.830
flat angles P-C4'-P energy: -60.839
tors. eta vs tors. theta energy: -84.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1096.633788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.633788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.633788 (E_RNA)
where:
Base-Base interactions energy: -729.529
where: short stacking energy: -336.362
Base-Backbone interact. energy: -1.215
local terms energy: -365.890169
where:
bonds (distance) C4'-P energy: -68.705
bonds (distance) P-C4' energy: -83.006
flat angles C4'-P-C4' energy: -74.176
flat angles P-C4'-P energy: -60.085
tors. eta vs tors. theta energy: -79.919
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: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -652.411272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.411272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.411272 (E_RNA)
where:
Base-Base interactions energy: -350.185
where: short stacking energy: -187.601
Base-Backbone interact. energy: 1.156
local terms energy: -303.382516
where:
bonds (distance) C4'-P energy: -82.434
bonds (distance) P-C4' energy: -81.345
flat angles C4'-P-C4' energy: -87.901
flat angles P-C4'-P energy: -42.805
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: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1866.488613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.488613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.488613 (E_RNA)
where:
Base-Base interactions energy: -1319.657
where: short stacking energy: -532.784
Base-Backbone interact. energy: -1.305
local terms energy: -545.526402
where:
bonds (distance) C4'-P energy: -103.172
bonds (distance) P-C4' energy: -89.695
flat angles C4'-P-C4' energy: -118.214
flat angles P-C4'-P energy: -80.755
tors. eta vs tors. theta energy: -153.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1787.806990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.806990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.806990 (E_RNA)
where:
Base-Base interactions energy: -1260.960
where: short stacking energy: -507.076
Base-Backbone interact. energy: -3.667
local terms energy: -523.179889
where:
bonds (distance) C4'-P energy: -90.278
bonds (distance) P-C4' energy: -108.366
flat angles C4'-P-C4' energy: -113.117
flat angles P-C4'-P energy: -78.117
tors. eta vs tors. theta energy: -133.303
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: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1708.495739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.495739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.495739 (E_RNA)
where:
Base-Base interactions energy: -1206.509
where: short stacking energy: -466.099
Base-Backbone interact. energy: -0.928
local terms energy: -501.058483
where:
bonds (distance) C4'-P energy: -94.712
bonds (distance) P-C4' energy: -96.356
flat angles C4'-P-C4' energy: -112.972
flat angles P-C4'-P energy: -77.696
tors. eta vs tors. theta energy: -119.322
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: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1631.471537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.471537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.471537 (E_RNA)
where:
Base-Base interactions energy: -1138.507
where: short stacking energy: -443.004
Base-Backbone interact. energy: -1.881
local terms energy: -491.083330
where:
bonds (distance) C4'-P energy: -93.668
bonds (distance) P-C4' energy: -90.858
flat angles C4'-P-C4' energy: -102.076
flat angles P-C4'-P energy: -82.620
tors. eta vs tors. theta energy: -121.860
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: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1583.053890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.053890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.053890 (E_RNA)
where:
Base-Base interactions energy: -1102.801
where: short stacking energy: -459.841
Base-Backbone interact. energy: -1.550
local terms energy: -478.702633
where:
bonds (distance) C4'-P energy: -83.436
bonds (distance) P-C4' energy: -94.880
flat angles C4'-P-C4' energy: -105.176
flat angles P-C4'-P energy: -71.813
tors. eta vs tors. theta energy: -123.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1486.454026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.454026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.454026 (E_RNA)
where:
Base-Base interactions energy: -1057.543
where: short stacking energy: -406.918
Base-Backbone interact. energy: -3.125
local terms energy: -425.785641
where:
bonds (distance) C4'-P energy: -68.910
bonds (distance) P-C4' energy: -89.073
flat angles C4'-P-C4' energy: -106.730
flat angles P-C4'-P energy: -68.387
tors. eta vs tors. theta energy: -92.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1424.160397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.160397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.160397 (E_RNA)
where:
Base-Base interactions energy: -1028.491
where: short stacking energy: -421.261
Base-Backbone interact. energy: -1.258
local terms energy: -394.410772
where:
bonds (distance) C4'-P energy: -71.283
bonds (distance) P-C4' energy: -79.891
flat angles C4'-P-C4' energy: -85.428
flat angles P-C4'-P energy: -66.000
tors. eta vs tors. theta energy: -91.808
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: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1290.145390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.145390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.145390 (E_RNA)
where:
Base-Base interactions energy: -900.645
where: short stacking energy: -362.629
Base-Backbone interact. energy: -3.160
local terms energy: -386.339702
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -93.073
flat angles C4'-P-C4' energy: -93.501
flat angles P-C4'-P energy: -57.566
tors. eta vs tors. theta energy: -86.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1092.222715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.222715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.222715 (E_RNA)
where:
Base-Base interactions energy: -721.533
where: short stacking energy: -308.693
Base-Backbone interact. energy: -0.012
local terms energy: -370.678081
where:
bonds (distance) C4'-P energy: -88.873
bonds (distance) P-C4' energy: -78.209
flat angles C4'-P-C4' energy: -96.979
flat angles P-C4'-P energy: -37.487
tors. eta vs tors. theta energy: -69.131
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: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -642.139463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.139463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.139463 (E_RNA)
where:
Base-Base interactions energy: -370.041
where: short stacking energy: -190.746
Base-Backbone interact. energy: -0.009
local terms energy: -272.089170
where:
bonds (distance) C4'-P energy: -66.170
bonds (distance) P-C4' energy: -80.645
flat angles C4'-P-C4' energy: -84.299
flat angles P-C4'-P energy: -45.861
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: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1866.654532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.654532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.654532 (E_RNA)
where:
Base-Base interactions energy: -1319.833
where: short stacking energy: -511.922
Base-Backbone interact. energy: -3.820
local terms energy: -543.001068
where:
bonds (distance) C4'-P energy: -108.130
bonds (distance) P-C4' energy: -97.524
flat angles C4'-P-C4' energy: -111.173
flat angles P-C4'-P energy: -80.465
tors. eta vs tors. theta energy: -145.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1811.033473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.033473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.033473 (E_RNA)
where:
Base-Base interactions energy: -1287.619
where: short stacking energy: -514.011
Base-Backbone interact. energy: 0.816
local terms energy: -524.230948
where:
bonds (distance) C4'-P energy: -89.390
bonds (distance) P-C4' energy: -99.583
flat angles C4'-P-C4' energy: -115.126
flat angles P-C4'-P energy: -78.501
tors. eta vs tors. theta energy: -141.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1648.790030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.790030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.790030 (E_RNA)
where:
Base-Base interactions energy: -1149.614
where: short stacking energy: -458.591
Base-Backbone interact. energy: -2.864
local terms energy: -496.312050
where:
bonds (distance) C4'-P energy: -101.852
bonds (distance) P-C4' energy: -102.765
flat angles C4'-P-C4' energy: -101.878
flat angles P-C4'-P energy: -69.925
tors. eta vs tors. theta energy: -119.892
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: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1664.237638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.237638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.237638 (E_RNA)
where:
Base-Base interactions energy: -1156.773
where: short stacking energy: -469.031
Base-Backbone interact. energy: -1.680
local terms energy: -505.784648
where:
bonds (distance) C4'-P energy: -87.889
bonds (distance) P-C4' energy: -99.276
flat angles C4'-P-C4' energy: -113.932
flat angles P-C4'-P energy: -76.257
tors. eta vs tors. theta energy: -128.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1545.187194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.187194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.187194 (E_RNA)
where:
Base-Base interactions energy: -1087.213
where: short stacking energy: -457.009
Base-Backbone interact. energy: -1.208
local terms energy: -456.766280
where:
bonds (distance) C4'-P energy: -86.925
bonds (distance) P-C4' energy: -89.867
flat angles C4'-P-C4' energy: -99.636
flat angles P-C4'-P energy: -67.533
tors. eta vs tors. theta energy: -112.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1501.314951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.314951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.314951 (E_RNA)
where:
Base-Base interactions energy: -1057.947
where: short stacking energy: -432.006
Base-Backbone interact. energy: -0.775
local terms energy: -442.592442
where:
bonds (distance) C4'-P energy: -81.509
bonds (distance) P-C4' energy: -80.151
flat angles C4'-P-C4' energy: -93.025
flat angles P-C4'-P energy: -70.300
tors. eta vs tors. theta energy: -117.608
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: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1442.446734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.446734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.446734 (E_RNA)
where:
Base-Base interactions energy: -1007.382
where: short stacking energy: -413.880
Base-Backbone interact. energy: -2.710
local terms energy: -432.354972
where:
bonds (distance) C4'-P energy: -81.607
bonds (distance) P-C4' energy: -85.601
flat angles C4'-P-C4' energy: -97.137
flat angles P-C4'-P energy: -65.945
tors. eta vs tors. theta energy: -102.065
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: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1272.766875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.766875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.766875 (E_RNA)
where:
Base-Base interactions energy: -868.709
where: short stacking energy: -371.290
Base-Backbone interact. energy: -1.488
local terms energy: -402.569610
where:
bonds (distance) C4'-P energy: -71.134
bonds (distance) P-C4' energy: -81.688
flat angles C4'-P-C4' energy: -94.600
flat angles P-C4'-P energy: -69.281
tors. eta vs tors. theta energy: -85.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1125.327048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.327048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.327048 (E_RNA)
where:
Base-Base interactions energy: -764.438
where: short stacking energy: -319.778
Base-Backbone interact. energy: 0.431
local terms energy: -361.320180
where:
bonds (distance) C4'-P energy: -73.726
bonds (distance) P-C4' energy: -71.250
flat angles C4'-P-C4' energy: -92.258
flat angles P-C4'-P energy: -53.383
tors. eta vs tors. theta energy: -70.703
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: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -666.224639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.224639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.224639 (E_RNA)
where:
Base-Base interactions energy: -351.353
where: short stacking energy: -190.489
Base-Backbone interact. energy: -2.699
local terms energy: -312.172418
where:
bonds (distance) C4'-P energy: -66.565
bonds (distance) P-C4' energy: -97.947
flat angles C4'-P-C4' energy: -79.041
flat angles P-C4'-P energy: -46.485
tors. eta vs tors. theta energy: -22.133
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: 119
Temperature: 0.900000
Total energy: -1858.225783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.225783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.225783 (E_RNA)
where:
Base-Base interactions energy: -1305.968
where: short stacking energy: -511.214
Base-Backbone interact. energy: -0.404
local terms energy: -551.853459
where:
bonds (distance) C4'-P energy: -102.230
bonds (distance) P-C4' energy: -102.372
flat angles C4'-P-C4' energy: -119.530
flat angles P-C4'-P energy: -85.809
tors. eta vs tors. theta energy: -141.912
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: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1802.906251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.906251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.906251 (E_RNA)
where:
Base-Base interactions energy: -1260.600
where: short stacking energy: -513.462
Base-Backbone interact. energy: -4.280
local terms energy: -538.025727
where:
bonds (distance) C4'-P energy: -98.572
bonds (distance) P-C4' energy: -96.838
flat angles C4'-P-C4' energy: -116.701
flat angles P-C4'-P energy: -81.128
tors. eta vs tors. theta energy: -144.786
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: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1667.939528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.939528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.939528 (E_RNA)
where:
Base-Base interactions energy: -1162.872
where: short stacking energy: -473.673
Base-Backbone interact. energy: -2.900
local terms energy: -502.167423
where:
bonds (distance) C4'-P energy: -99.202
bonds (distance) P-C4' energy: -99.399
flat angles C4'-P-C4' energy: -110.745
flat angles P-C4'-P energy: -69.587
tors. eta vs tors. theta energy: -123.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1681.428557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.428557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.428557 (E_RNA)
where:
Base-Base interactions energy: -1206.401
where: short stacking energy: -467.084
Base-Backbone interact. energy: -2.101
local terms energy: -472.925723
where:
bonds (distance) C4'-P energy: -91.104
bonds (distance) P-C4' energy: -92.608
flat angles C4'-P-C4' energy: -110.835
flat angles P-C4'-P energy: -60.213
tors. eta vs tors. theta energy: -118.166
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: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1550.283391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.283391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.283391 (E_RNA)
where:
Base-Base interactions energy: -1088.424
where: short stacking energy: -452.326
Base-Backbone interact. energy: -2.636
local terms energy: -459.223714
where:
bonds (distance) C4'-P energy: -81.579
bonds (distance) P-C4' energy: -90.276
flat angles C4'-P-C4' energy: -100.924
flat angles P-C4'-P energy: -68.830
tors. eta vs tors. theta energy: -117.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1526.735880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.735880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.735880 (E_RNA)
where:
Base-Base interactions energy: -1061.343
where: short stacking energy: -428.911
Base-Backbone interact. energy: -0.188
local terms energy: -465.205528
where:
bonds (distance) C4'-P energy: -91.216
bonds (distance) P-C4' energy: -79.209
flat angles C4'-P-C4' energy: -96.845
flat angles P-C4'-P energy: -75.030
tors. eta vs tors. theta energy: -122.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1402.199884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.199884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.199884 (E_RNA)
where:
Base-Base interactions energy: -952.894
where: short stacking energy: -389.464
Base-Backbone interact. energy: -5.097
local terms energy: -444.209571
where:
bonds (distance) C4'-P energy: -86.543
bonds (distance) P-C4' energy: -95.432
flat angles C4'-P-C4' energy: -105.335
flat angles P-C4'-P energy: -57.782
tors. eta vs tors. theta energy: -99.118
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: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1252.826435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.826435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.826435 (E_RNA)
where:
Base-Base interactions energy: -863.740
where: short stacking energy: -342.704
Base-Backbone interact. energy: -3.200
local terms energy: -385.886588
where:
bonds (distance) C4'-P energy: -68.710
bonds (distance) P-C4' energy: -71.042
flat angles C4'-P-C4' energy: -93.359
flat angles P-C4'-P energy: -71.862
tors. eta vs tors. theta energy: -80.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1091.673498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.673498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.673498 (E_RNA)
where:
Base-Base interactions energy: -725.189
where: short stacking energy: -340.790
Base-Backbone interact. energy: 5.659
local terms energy: -372.143732
where:
bonds (distance) C4'-P energy: -73.934
bonds (distance) P-C4' energy: -90.823
flat angles C4'-P-C4' energy: -84.460
flat angles P-C4'-P energy: -52.258
tors. eta vs tors. theta energy: -70.669
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: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -631.598212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.598212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.598212 (E_RNA)
where:
Base-Base interactions energy: -337.837
where: short stacking energy: -162.942
Base-Backbone interact. energy: 3.199
local terms energy: -296.960218
where:
bonds (distance) C4'-P energy: -84.310
bonds (distance) P-C4' energy: -68.100
flat angles C4'-P-C4' energy: -98.763
flat angles P-C4'-P energy: -44.110
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: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1842.487056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.487056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.487056 (E_RNA)
where:
Base-Base interactions energy: -1281.232
where: short stacking energy: -499.168
Base-Backbone interact. energy: -3.371
local terms energy: -557.883595
where:
bonds (distance) C4'-P energy: -108.034
bonds (distance) P-C4' energy: -113.925
flat angles C4'-P-C4' energy: -118.199
flat angles P-C4'-P energy: -71.965
tors. eta vs tors. theta energy: -145.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1773.079154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.079154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.079154 (E_RNA)
where:
Base-Base interactions energy: -1233.775
where: short stacking energy: -494.404
Base-Backbone interact. energy: -0.546
local terms energy: -538.758048
where:
bonds (distance) C4'-P energy: -98.304
bonds (distance) P-C4' energy: -99.327
flat angles C4'-P-C4' energy: -121.805
flat angles P-C4'-P energy: -80.360
tors. eta vs tors. theta energy: -138.962
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: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1664.000854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.000854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.000854 (E_RNA)
where:
Base-Base interactions energy: -1185.339
where: short stacking energy: -478.045
Base-Backbone interact. energy: 2.995
local terms energy: -481.657333
where:
bonds (distance) C4'-P energy: -82.595
bonds (distance) P-C4' energy: -100.214
flat angles C4'-P-C4' energy: -99.980
flat angles P-C4'-P energy: -76.482
tors. eta vs tors. theta energy: -122.385
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: 120
Temperature: 1.050000
Total energy: -1604.999036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.999036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.999036 (E_RNA)
where:
Base-Base interactions energy: -1155.834
where: short stacking energy: -451.824
Base-Backbone interact. energy: 1.546
local terms energy: -450.711234
where:
bonds (distance) C4'-P energy: -87.235
bonds (distance) P-C4' energy: -78.230
flat angles C4'-P-C4' energy: -107.261
flat angles P-C4'-P energy: -61.016
tors. eta vs tors. theta energy: -116.968
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: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1542.635602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.635602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.635602 (E_RNA)
where:
Base-Base interactions energy: -1088.781
where: short stacking energy: -423.864
Base-Backbone interact. energy: -0.381
local terms energy: -453.474011
where:
bonds (distance) C4'-P energy: -86.120
bonds (distance) P-C4' energy: -91.168
flat angles C4'-P-C4' energy: -96.408
flat angles P-C4'-P energy: -69.445
tors. eta vs tors. theta energy: -110.334
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: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1506.077192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.077192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.077192 (E_RNA)
where:
Base-Base interactions energy: -1048.024
where: short stacking energy: -422.315
Base-Backbone interact. energy: 1.451
local terms energy: -459.503715
where:
bonds (distance) C4'-P energy: -87.997
bonds (distance) P-C4' energy: -87.100
flat angles C4'-P-C4' energy: -94.897
flat angles P-C4'-P energy: -75.134
tors. eta vs tors. theta energy: -114.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1372.954360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.954360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.954360 (E_RNA)
where:
Base-Base interactions energy: -941.664
where: short stacking energy: -388.383
Base-Backbone interact. energy: -2.714
local terms energy: -428.576059
where:
bonds (distance) C4'-P energy: -80.049
bonds (distance) P-C4' energy: -95.784
flat angles C4'-P-C4' energy: -95.026
flat angles P-C4'-P energy: -67.064
tors. eta vs tors. theta energy: -90.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1252.621835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.621835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.621835 (E_RNA)
where:
Base-Base interactions energy: -851.430
where: short stacking energy: -344.903
Base-Backbone interact. energy: -0.542
local terms energy: -400.649559
where:
bonds (distance) C4'-P energy: -69.948
bonds (distance) P-C4' energy: -100.006
flat angles C4'-P-C4' energy: -88.764
flat angles P-C4'-P energy: -55.720
tors. eta vs tors. theta energy: -86.211
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: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1135.316817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.316817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.316817 (E_RNA)
where:
Base-Base interactions energy: -778.316
where: short stacking energy: -357.056
Base-Backbone interact. energy: 0.712
local terms energy: -357.712823
where:
bonds (distance) C4'-P energy: -73.642
bonds (distance) P-C4' energy: -78.588
flat angles C4'-P-C4' energy: -94.383
flat angles P-C4'-P energy: -47.549
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: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -656.572619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.572619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.572619 (E_RNA)
where:
Base-Base interactions energy: -350.509
where: short stacking energy: -183.538
Base-Backbone interact. energy: 3.136
local terms energy: -309.199798
where:
bonds (distance) C4'-P energy: -79.066
bonds (distance) P-C4' energy: -81.794
flat angles C4'-P-C4' energy: -68.028
flat angles P-C4'-P energy: -57.974
tors. eta vs tors. theta energy: -22.338
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: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1845.856893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.856893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.856893 (E_RNA)
where:
Base-Base interactions energy: -1309.509
where: short stacking energy: -508.886
Base-Backbone interact. energy: -2.948
local terms energy: -533.399746
where:
bonds (distance) C4'-P energy: -95.805
bonds (distance) P-C4' energy: -107.699
flat angles C4'-P-C4' energy: -111.863
flat angles P-C4'-P energy: -71.615
tors. eta vs tors. theta energy: -146.417
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: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1764.017845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.017845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.017845 (E_RNA)
where:
Base-Base interactions energy: -1253.781
where: short stacking energy: -520.971
Base-Backbone interact. energy: -5.103
local terms energy: -505.133422
where:
bonds (distance) C4'-P energy: -82.995
bonds (distance) P-C4' energy: -97.779
flat angles C4'-P-C4' energy: -106.417
flat angles P-C4'-P energy: -85.375
tors. eta vs tors. theta energy: -132.568
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: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1691.468523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.468523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.468523 (E_RNA)
where:
Base-Base interactions energy: -1191.476
where: short stacking energy: -481.176
Base-Backbone interact. energy: -1.199
local terms energy: -498.793154
where:
bonds (distance) C4'-P energy: -90.547
bonds (distance) P-C4' energy: -85.519
flat angles C4'-P-C4' energy: -112.170
flat angles P-C4'-P energy: -82.956
tors. eta vs tors. theta energy: -127.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1642.981886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.981886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.981886 (E_RNA)
where:
Base-Base interactions energy: -1169.427
where: short stacking energy: -450.475
Base-Backbone interact. energy: 2.003
local terms energy: -475.558314
where:
bonds (distance) C4'-P energy: -93.932
bonds (distance) P-C4' energy: -85.268
flat angles C4'-P-C4' energy: -95.867
flat angles P-C4'-P energy: -72.456
tors. eta vs tors. theta energy: -128.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1544.173321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.173321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.173321 (E_RNA)
where:
Base-Base interactions energy: -1084.918
where: short stacking energy: -420.972
Base-Backbone interact. energy: -3.700
local terms energy: -455.554454
where:
bonds (distance) C4'-P energy: -100.907
bonds (distance) P-C4' energy: -79.214
flat angles C4'-P-C4' energy: -114.457
flat angles P-C4'-P energy: -62.890
tors. eta vs tors. theta energy: -98.085
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: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1482.569176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.569176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.569176 (E_RNA)
where:
Base-Base interactions energy: -1045.688
where: short stacking energy: -439.698
Base-Backbone interact. energy: -3.147
local terms energy: -433.734616
where:
bonds (distance) C4'-P energy: -75.247
bonds (distance) P-C4' energy: -96.199
flat angles C4'-P-C4' energy: -81.449
flat angles P-C4'-P energy: -69.214
tors. eta vs tors. theta energy: -111.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1316.866706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.866706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.866706 (E_RNA)
where:
Base-Base interactions energy: -904.236
where: short stacking energy: -350.587
Base-Backbone interact. energy: -2.462
local terms energy: -410.169027
where:
bonds (distance) C4'-P energy: -100.351
bonds (distance) P-C4' energy: -81.584
flat angles C4'-P-C4' energy: -96.129
flat angles P-C4'-P energy: -45.306
tors. eta vs tors. theta energy: -86.800
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: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1233.200090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.200090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.200090 (E_RNA)
where:
Base-Base interactions energy: -804.002
where: short stacking energy: -340.884
Base-Backbone interact. energy: -0.738
local terms energy: -428.460102
where:
bonds (distance) C4'-P energy: -75.893
bonds (distance) P-C4' energy: -101.415
flat angles C4'-P-C4' energy: -95.788
flat angles P-C4'-P energy: -65.289
tors. eta vs tors. theta energy: -90.075
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: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1083.439406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.439406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.439406 (E_RNA)
where:
Base-Base interactions energy: -717.161
where: short stacking energy: -313.029
Base-Backbone interact. energy: 5.506
local terms energy: -371.785159
where:
bonds (distance) C4'-P energy: -80.110
bonds (distance) P-C4' energy: -90.289
flat angles C4'-P-C4' energy: -96.024
flat angles P-C4'-P energy: -52.256
tors. eta vs tors. theta energy: -53.107
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: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -547.756336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.756336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.756336 (E_RNA)
where:
Base-Base interactions energy: -270.501
where: short stacking energy: -161.634
Base-Backbone interact. energy: 4.542
local terms energy: -281.797200
where:
bonds (distance) C4'-P energy: -69.309
bonds (distance) P-C4' energy: -88.065
flat angles C4'-P-C4' energy: -76.769
flat angles P-C4'-P energy: -34.792
tors. eta vs tors. theta energy: -12.862
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: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1841.586179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.586179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.586179 (E_RNA)
where:
Base-Base interactions energy: -1299.572
where: short stacking energy: -485.320
Base-Backbone interact. energy: -3.754
local terms energy: -538.260513
where:
bonds (distance) C4'-P energy: -103.187
bonds (distance) P-C4' energy: -112.348
flat angles C4'-P-C4' energy: -122.083
flat angles P-C4'-P energy: -65.610
tors. eta vs tors. theta energy: -135.033
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: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1789.327065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.327065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.327065 (E_RNA)
where:
Base-Base interactions energy: -1245.484
where: short stacking energy: -511.526
Base-Backbone interact. energy: -1.705
local terms energy: -542.137640
where:
bonds (distance) C4'-P energy: -101.779
bonds (distance) P-C4' energy: -94.718
flat angles C4'-P-C4' energy: -113.577
flat angles P-C4'-P energy: -85.886
tors. eta vs tors. theta energy: -146.178
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: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1690.185436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.185436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.185436 (E_RNA)
where:
Base-Base interactions energy: -1201.207
where: short stacking energy: -501.685
Base-Backbone interact. energy: -2.781
local terms energy: -486.197367
where:
bonds (distance) C4'-P energy: -93.225
bonds (distance) P-C4' energy: -85.917
flat angles C4'-P-C4' energy: -101.545
flat angles P-C4'-P energy: -73.627
tors. eta vs tors. theta energy: -131.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1656.953233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.953233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.953233 (E_RNA)
where:
Base-Base interactions energy: -1173.856
where: short stacking energy: -487.058
Base-Backbone interact. energy: -2.596
local terms energy: -480.500720
where:
bonds (distance) C4'-P energy: -97.963
bonds (distance) P-C4' energy: -90.956
flat angles C4'-P-C4' energy: -105.468
flat angles P-C4'-P energy: -56.332
tors. eta vs tors. theta energy: -129.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1539.932499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.932499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.932499 (E_RNA)
where:
Base-Base interactions energy: -1073.428
where: short stacking energy: -413.819
Base-Backbone interact. energy: 0.044
local terms energy: -466.548205
where:
bonds (distance) C4'-P energy: -93.846
bonds (distance) P-C4' energy: -101.456
flat angles C4'-P-C4' energy: -92.729
flat angles P-C4'-P energy: -76.393
tors. eta vs tors. theta energy: -102.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1504.881665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.881665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.881665 (E_RNA)
where:
Base-Base interactions energy: -1040.838
where: short stacking energy: -439.383
Base-Backbone interact. energy: -4.577
local terms energy: -459.466548
where:
bonds (distance) C4'-P energy: -81.343
bonds (distance) P-C4' energy: -86.641
flat angles C4'-P-C4' energy: -111.980
flat angles P-C4'-P energy: -70.857
tors. eta vs tors. theta energy: -108.645
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: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1361.197774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.197774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.197774 (E_RNA)
where:
Base-Base interactions energy: -952.572
where: short stacking energy: -399.029
Base-Backbone interact. energy: -1.486
local terms energy: -407.139900
where:
bonds (distance) C4'-P energy: -74.218
bonds (distance) P-C4' energy: -85.680
flat angles C4'-P-C4' energy: -91.112
flat angles P-C4'-P energy: -55.681
tors. eta vs tors. theta energy: -100.449
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: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1240.500811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.500811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.500811 (E_RNA)
where:
Base-Base interactions energy: -834.943
where: short stacking energy: -353.792
Base-Backbone interact. energy: -2.145
local terms energy: -403.413406
where:
bonds (distance) C4'-P energy: -83.032
bonds (distance) P-C4' energy: -86.297
flat angles C4'-P-C4' energy: -99.723
flat angles P-C4'-P energy: -66.171
tors. eta vs tors. theta energy: -68.191
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: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1080.538586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.538586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.538586 (E_RNA)
where:
Base-Base interactions energy: -708.865
where: short stacking energy: -308.322
Base-Backbone interact. energy: 0.964
local terms energy: -372.637586
where:
bonds (distance) C4'-P energy: -72.638
bonds (distance) P-C4' energy: -95.490
flat angles C4'-P-C4' energy: -92.338
flat angles P-C4'-P energy: -58.135
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: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -554.014484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.014484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.014484 (E_RNA)
where:
Base-Base interactions energy: -290.742
where: short stacking energy: -158.121
Base-Backbone interact. energy: 0.892
local terms energy: -264.164673
where:
bonds (distance) C4'-P energy: -64.053
bonds (distance) P-C4' energy: -104.646
flat angles C4'-P-C4' energy: -64.471
flat angles P-C4'-P energy: -33.210
tors. eta vs tors. theta energy: 2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1840.242787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.242787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.242787 (E_RNA)
where:
Base-Base interactions energy: -1285.994
where: short stacking energy: -502.506
Base-Backbone interact. energy: -2.565
local terms energy: -551.683746
where:
bonds (distance) C4'-P energy: -97.907
bonds (distance) P-C4' energy: -106.045
flat angles C4'-P-C4' energy: -118.612
flat angles P-C4'-P energy: -82.264
tors. eta vs tors. theta energy: -146.856
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: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1763.375760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.375760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.375760 (E_RNA)
where:
Base-Base interactions energy: -1232.918
where: short stacking energy: -534.101
Base-Backbone interact. energy: -2.724
local terms energy: -527.734392
where:
bonds (distance) C4'-P energy: -96.585
bonds (distance) P-C4' energy: -108.751
flat angles C4'-P-C4' energy: -108.824
flat angles P-C4'-P energy: -63.249
tors. eta vs tors. theta energy: -150.326
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: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1670.089564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.089564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.089564 (E_RNA)
where:
Base-Base interactions energy: -1174.199
where: short stacking energy: -490.818
Base-Backbone interact. energy: -2.236
local terms energy: -493.654381
where:
bonds (distance) C4'-P energy: -90.314
bonds (distance) P-C4' energy: -84.982
flat angles C4'-P-C4' energy: -111.489
flat angles P-C4'-P energy: -73.503
tors. eta vs tors. theta energy: -133.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1642.386839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.386839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.386839 (E_RNA)
where:
Base-Base interactions energy: -1177.524
where: short stacking energy: -481.494
Base-Backbone interact. energy: 0.423
local terms energy: -465.285706
where:
bonds (distance) C4'-P energy: -81.333
bonds (distance) P-C4' energy: -100.291
flat angles C4'-P-C4' energy: -89.982
flat angles P-C4'-P energy: -74.759
tors. eta vs tors. theta energy: -118.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1511.777610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.777610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.777610 (E_RNA)
where:
Base-Base interactions energy: -1048.616
where: short stacking energy: -415.792
Base-Backbone interact. energy: -5.411
local terms energy: -457.750354
where:
bonds (distance) C4'-P energy: -92.817
bonds (distance) P-C4' energy: -91.950
flat angles C4'-P-C4' energy: -97.783
flat angles P-C4'-P energy: -72.978
tors. eta vs tors. theta energy: -102.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1505.624105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.624105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.624105 (E_RNA)
where:
Base-Base interactions energy: -1057.928
where: short stacking energy: -408.962
Base-Backbone interact. energy: 0.218
local terms energy: -447.913981
where:
bonds (distance) C4'-P energy: -94.959
bonds (distance) P-C4' energy: -90.875
flat angles C4'-P-C4' energy: -99.287
flat angles P-C4'-P energy: -59.274
tors. eta vs tors. theta energy: -103.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1410.154629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.154629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.154629 (E_RNA)
where:
Base-Base interactions energy: -977.695
where: short stacking energy: -414.088
Base-Backbone interact. energy: -0.882
local terms energy: -431.576999
where:
bonds (distance) C4'-P energy: -92.129
bonds (distance) P-C4' energy: -69.372
flat angles C4'-P-C4' energy: -104.518
flat angles P-C4'-P energy: -56.538
tors. eta vs tors. theta energy: -109.020
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: 123
Temperature: 1.250000
Total energy: -1214.017690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.017690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.017690 (E_RNA)
where:
Base-Base interactions energy: -842.472
where: short stacking energy: -341.252
Base-Backbone interact. energy: 7.970
local terms energy: -379.515770
where:
bonds (distance) C4'-P energy: -83.731
bonds (distance) P-C4' energy: -98.231
flat angles C4'-P-C4' energy: -91.412
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: -71.108
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: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1049.878875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.878875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.878875 (E_RNA)
where:
Base-Base interactions energy: -677.893
where: short stacking energy: -289.860
Base-Backbone interact. energy: 1.812
local terms energy: -373.797704
where:
bonds (distance) C4'-P energy: -81.611
bonds (distance) P-C4' energy: -92.279
flat angles C4'-P-C4' energy: -84.563
flat angles P-C4'-P energy: -54.278
tors. eta vs tors. theta energy: -61.067
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: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -559.570667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.570667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.570667 (E_RNA)
where:
Base-Base interactions energy: -285.011
where: short stacking energy: -143.950
Base-Backbone interact. energy: 3.102
local terms energy: -277.661145
where:
bonds (distance) C4'-P energy: -79.597
bonds (distance) P-C4' energy: -93.899
flat angles C4'-P-C4' energy: -76.427
flat angles P-C4'-P energy: -44.486
tors. eta vs tors. theta energy: 16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1897.707824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.707824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.707824 (E_RNA)
where:
Base-Base interactions energy: -1388.559
where: short stacking energy: -534.836
Base-Backbone interact. energy: -4.572
local terms energy: -504.576511
where:
bonds (distance) C4'-P energy: -83.556
bonds (distance) P-C4' energy: -103.777
flat angles C4'-P-C4' energy: -102.053
flat angles P-C4'-P energy: -72.047
tors. eta vs tors. theta energy: -143.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1809.408701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.408701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.408701 (E_RNA)
where:
Base-Base interactions energy: -1255.540
where: short stacking energy: -524.221
Base-Backbone interact. energy: -0.755
local terms energy: -553.113523
where:
bonds (distance) C4'-P energy: -107.343
bonds (distance) P-C4' energy: -94.546
flat angles C4'-P-C4' energy: -127.758
flat angles P-C4'-P energy: -77.376
tors. eta vs tors. theta energy: -146.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1713.405601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.405601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.405601 (E_RNA)
where:
Base-Base interactions energy: -1229.539
where: short stacking energy: -489.581
Base-Backbone interact. energy: -4.444
local terms energy: -479.422172
where:
bonds (distance) C4'-P energy: -82.706
bonds (distance) P-C4' energy: -99.201
flat angles C4'-P-C4' energy: -111.568
flat angles P-C4'-P energy: -60.074
tors. eta vs tors. theta energy: -125.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1648.798186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.798186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.798186 (E_RNA)
where:
Base-Base interactions energy: -1168.631
where: short stacking energy: -463.823
Base-Backbone interact. energy: -2.799
local terms energy: -477.367744
where:
bonds (distance) C4'-P energy: -89.434
bonds (distance) P-C4' energy: -92.196
flat angles C4'-P-C4' energy: -110.074
flat angles P-C4'-P energy: -66.161
tors. eta vs tors. theta energy: -119.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1562.113678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.113678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.113678 (E_RNA)
where:
Base-Base interactions energy: -1104.870
where: short stacking energy: -439.759
Base-Backbone interact. energy: -1.049
local terms energy: -456.194086
where:
bonds (distance) C4'-P energy: -97.169
bonds (distance) P-C4' energy: -97.215
flat angles C4'-P-C4' energy: -93.707
flat angles P-C4'-P energy: -59.608
tors. eta vs tors. theta energy: -108.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1437.623446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.623446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.623446 (E_RNA)
where:
Base-Base interactions energy: -1000.938
where: short stacking energy: -414.555
Base-Backbone interact. energy: 1.514
local terms energy: -438.199619
where:
bonds (distance) C4'-P energy: -83.584
bonds (distance) P-C4' energy: -93.864
flat angles C4'-P-C4' energy: -100.091
flat angles P-C4'-P energy: -66.200
tors. eta vs tors. theta energy: -94.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1395.356604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.356604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.356604 (E_RNA)
where:
Base-Base interactions energy: -973.396
where: short stacking energy: -402.818
Base-Backbone interact. energy: -2.781
local terms energy: -419.179041
where:
bonds (distance) C4'-P energy: -93.642
bonds (distance) P-C4' energy: -70.002
flat angles C4'-P-C4' energy: -87.412
flat angles P-C4'-P energy: -64.274
tors. eta vs tors. theta energy: -103.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1278.235448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.235448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.235448 (E_RNA)
where:
Base-Base interactions energy: -896.336
where: short stacking energy: -377.435
Base-Backbone interact. energy: 3.997
local terms energy: -385.896812
where:
bonds (distance) C4'-P energy: -72.488
bonds (distance) P-C4' energy: -94.202
flat angles C4'-P-C4' energy: -85.786
flat angles P-C4'-P energy: -37.017
tors. eta vs tors. theta energy: -96.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1061.867083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.867083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.867083 (E_RNA)
where:
Base-Base interactions energy: -711.892
where: short stacking energy: -305.523
Base-Backbone interact. energy: -1.904
local terms energy: -348.071015
where:
bonds (distance) C4'-P energy: -74.160
bonds (distance) P-C4' energy: -80.851
flat angles C4'-P-C4' energy: -80.304
flat angles P-C4'-P energy: -59.516
tors. eta vs tors. theta energy: -53.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -570.666894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.666894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.666894 (E_RNA)
where:
Base-Base interactions energy: -288.208
where: short stacking energy: -177.763
Base-Backbone interact. energy: 0.456
local terms energy: -282.914163
where:
bonds (distance) C4'-P energy: -71.785
bonds (distance) P-C4' energy: -89.017
flat angles C4'-P-C4' energy: -83.433
flat angles P-C4'-P energy: -42.960
tors. eta vs tors. theta energy: 4.282
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: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1897.399060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.399060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.399060 (E_RNA)
where:
Base-Base interactions energy: -1353.734
where: short stacking energy: -517.950
Base-Backbone interact. energy: -3.748
local terms energy: -539.917782
where:
bonds (distance) C4'-P energy: -101.759
bonds (distance) P-C4' energy: -103.911
flat angles C4'-P-C4' energy: -102.530
flat angles P-C4'-P energy: -84.471
tors. eta vs tors. theta energy: -147.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1783.210318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.210318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.210318 (E_RNA)
where:
Base-Base interactions energy: -1257.073
where: short stacking energy: -532.043
Base-Backbone interact. energy: -5.529
local terms energy: -520.607608
where:
bonds (distance) C4'-P energy: -99.192
bonds (distance) P-C4' energy: -89.256
flat angles C4'-P-C4' energy: -108.853
flat angles P-C4'-P energy: -74.486
tors. eta vs tors. theta energy: -148.820
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: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1740.877107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.877107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.877107 (E_RNA)
where:
Base-Base interactions energy: -1247.975
where: short stacking energy: -492.501
Base-Backbone interact. energy: -2.909
local terms energy: -489.992790
where:
bonds (distance) C4'-P energy: -96.087
bonds (distance) P-C4' energy: -97.884
flat angles C4'-P-C4' energy: -105.797
flat angles P-C4'-P energy: -68.317
tors. eta vs tors. theta energy: -121.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1605.233598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.233598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.233598 (E_RNA)
where:
Base-Base interactions energy: -1117.277
where: short stacking energy: -444.036
Base-Backbone interact. energy: -0.995
local terms energy: -486.961488
where:
bonds (distance) C4'-P energy: -110.167
bonds (distance) P-C4' energy: -102.319
flat angles C4'-P-C4' energy: -95.572
flat angles P-C4'-P energy: -61.290
tors. eta vs tors. theta energy: -117.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1526.082065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.082065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.082065 (E_RNA)
where:
Base-Base interactions energy: -1078.750
where: short stacking energy: -445.608
Base-Backbone interact. energy: -0.026
local terms energy: -447.305957
where:
bonds (distance) C4'-P energy: -87.769
bonds (distance) P-C4' energy: -74.599
flat angles C4'-P-C4' energy: -116.690
flat angles P-C4'-P energy: -65.106
tors. eta vs tors. theta energy: -103.141
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: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1472.252424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.252424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.252424 (E_RNA)
where:
Base-Base interactions energy: -984.367
where: short stacking energy: -440.616
Base-Backbone interact. energy: -2.277
local terms energy: -485.607522
where:
bonds (distance) C4'-P energy: -89.867
bonds (distance) P-C4' energy: -92.905
flat angles C4'-P-C4' energy: -103.976
flat angles P-C4'-P energy: -74.600
tors. eta vs tors. theta energy: -124.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1437.695287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.695287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.695287 (E_RNA)
where:
Base-Base interactions energy: -1012.307
where: short stacking energy: -431.264
Base-Backbone interact. energy: 1.718
local terms energy: -427.105823
where:
bonds (distance) C4'-P energy: -74.547
bonds (distance) P-C4' energy: -90.711
flat angles C4'-P-C4' energy: -86.142
flat angles P-C4'-P energy: -69.051
tors. eta vs tors. theta energy: -106.655
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: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1263.567216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.567216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.567216 (E_RNA)
where:
Base-Base interactions energy: -869.439
where: short stacking energy: -387.006
Base-Backbone interact. energy: 2.065
local terms energy: -396.193648
where:
bonds (distance) C4'-P energy: -69.777
bonds (distance) P-C4' energy: -82.968
flat angles C4'-P-C4' energy: -100.149
flat angles P-C4'-P energy: -59.509
tors. eta vs tors. theta energy: -83.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1131.923429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.923429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.923429 (E_RNA)
where:
Base-Base interactions energy: -760.360
where: short stacking energy: -338.258
Base-Backbone interact. energy: -0.379
local terms energy: -371.184557
where:
bonds (distance) C4'-P energy: -74.154
bonds (distance) P-C4' energy: -90.314
flat angles C4'-P-C4' energy: -75.646
flat angles P-C4'-P energy: -58.430
tors. eta vs tors. theta energy: -72.641
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: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -565.700813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.700813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.700813 (E_RNA)
where:
Base-Base interactions energy: -293.931
where: short stacking energy: -144.789
Base-Backbone interact. energy: 1.206
local terms energy: -272.975569
where:
bonds (distance) C4'-P energy: -86.416
bonds (distance) P-C4' energy: -96.254
flat angles C4'-P-C4' energy: -77.465
flat angles P-C4'-P energy: -31.502
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: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1882.627610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.627610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.627610 (E_RNA)
where:
Base-Base interactions energy: -1331.507
where: short stacking energy: -518.419
Base-Backbone interact. energy: -1.313
local terms energy: -549.807395
where:
bonds (distance) C4'-P energy: -101.817
bonds (distance) P-C4' energy: -111.209
flat angles C4'-P-C4' energy: -120.429
flat angles P-C4'-P energy: -75.903
tors. eta vs tors. theta energy: -140.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1762.019185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.019185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.019185 (E_RNA)
where:
Base-Base interactions energy: -1241.900
where: short stacking energy: -518.811
Base-Backbone interact. energy: -1.275
local terms energy: -518.844123
where:
bonds (distance) C4'-P energy: -89.591
bonds (distance) P-C4' energy: -95.264
flat angles C4'-P-C4' energy: -119.173
flat angles P-C4'-P energy: -75.890
tors. eta vs tors. theta energy: -138.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1662.790775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.790775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.790775 (E_RNA)
where:
Base-Base interactions energy: -1143.701
where: short stacking energy: -462.478
Base-Backbone interact. energy: -3.506
local terms energy: -515.583836
where:
bonds (distance) C4'-P energy: -95.641
bonds (distance) P-C4' energy: -107.161
flat angles C4'-P-C4' energy: -119.591
flat angles P-C4'-P energy: -69.383
tors. eta vs tors. theta energy: -123.809
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: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1633.665645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.665645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.665645 (E_RNA)
where:
Base-Base interactions energy: -1141.590
where: short stacking energy: -454.045
Base-Backbone interact. energy: -1.112
local terms energy: -490.963393
where:
bonds (distance) C4'-P energy: -94.294
bonds (distance) P-C4' energy: -96.832
flat angles C4'-P-C4' energy: -103.885
flat angles P-C4'-P energy: -75.610
tors. eta vs tors. theta energy: -120.342
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: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1556.943440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.943440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.943440 (E_RNA)
where:
Base-Base interactions energy: -1102.870
where: short stacking energy: -461.343
Base-Backbone interact. energy: -1.777
local terms energy: -452.297029
where:
bonds (distance) C4'-P energy: -85.948
bonds (distance) P-C4' energy: -71.911
flat angles C4'-P-C4' energy: -110.367
flat angles P-C4'-P energy: -67.365
tors. eta vs tors. theta energy: -116.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1502.764832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.764832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.764832 (E_RNA)
where:
Base-Base interactions energy: -1054.991
where: short stacking energy: -407.650
Base-Backbone interact. energy: 0.026
local terms energy: -447.800644
where:
bonds (distance) C4'-P energy: -91.767
bonds (distance) P-C4' energy: -61.105
flat angles C4'-P-C4' energy: -107.068
flat angles P-C4'-P energy: -66.830
tors. eta vs tors. theta energy: -121.031
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: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1448.414522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.414522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.414522 (E_RNA)
where:
Base-Base interactions energy: -980.982
where: short stacking energy: -408.137
Base-Backbone interact. energy: 0.966
local terms energy: -468.398110
where:
bonds (distance) C4'-P energy: -83.868
bonds (distance) P-C4' energy: -90.521
flat angles C4'-P-C4' energy: -108.980
flat angles P-C4'-P energy: -72.827
tors. eta vs tors. theta energy: -112.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1282.938532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.938532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.938532 (E_RNA)
where:
Base-Base interactions energy: -879.334
where: short stacking energy: -375.443
Base-Backbone interact. energy: -1.547
local terms energy: -402.058157
where:
bonds (distance) C4'-P energy: -80.352
bonds (distance) P-C4' energy: -85.510
flat angles C4'-P-C4' energy: -90.462
flat angles P-C4'-P energy: -60.743
tors. eta vs tors. theta energy: -84.991
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: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1111.561793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.561793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.561793 (E_RNA)
where:
Base-Base interactions energy: -724.229
where: short stacking energy: -327.211
Base-Backbone interact. energy: -0.455
local terms energy: -386.877863
where:
bonds (distance) C4'-P energy: -83.558
bonds (distance) P-C4' energy: -86.055
flat angles C4'-P-C4' energy: -92.897
flat angles P-C4'-P energy: -66.389
tors. eta vs tors. theta energy: -57.980
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: 126
Temperature: 1.350000
Total energy: -569.311955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.311955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.311955 (E_RNA)
where:
Base-Base interactions energy: -274.431
where: short stacking energy: -146.382
Base-Backbone interact. energy: -0.099
local terms energy: -294.781800
where:
bonds (distance) C4'-P energy: -68.097
bonds (distance) P-C4' energy: -100.566
flat angles C4'-P-C4' energy: -79.756
flat angles P-C4'-P energy: -47.324
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1874.011276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.011276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.011276 (E_RNA)
where:
Base-Base interactions energy: -1334.667
where: short stacking energy: -510.990
Base-Backbone interact. energy: -3.085
local terms energy: -536.259038
where:
bonds (distance) C4'-P energy: -98.744
bonds (distance) P-C4' energy: -98.761
flat angles C4'-P-C4' energy: -111.437
flat angles P-C4'-P energy: -83.785
tors. eta vs tors. theta energy: -143.532
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: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1806.827620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.827620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.827620 (E_RNA)
where:
Base-Base interactions energy: -1270.191
where: short stacking energy: -527.809
Base-Backbone interact. energy: -0.689
local terms energy: -535.947540
where:
bonds (distance) C4'-P energy: -88.760
bonds (distance) P-C4' energy: -116.959
flat angles C4'-P-C4' energy: -108.585
flat angles P-C4'-P energy: -76.586
tors. eta vs tors. theta energy: -145.058
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: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1683.691982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.691982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.691982 (E_RNA)
where:
Base-Base interactions energy: -1189.874
where: short stacking energy: -478.560
Base-Backbone interact. energy: 2.296
local terms energy: -496.114204
where:
bonds (distance) C4'-P energy: -109.724
bonds (distance) P-C4' energy: -95.437
flat angles C4'-P-C4' energy: -93.759
flat angles P-C4'-P energy: -77.913
tors. eta vs tors. theta energy: -119.280
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: 127
Temperature: 1.050000
Total energy: -1636.926032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.926032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.926032 (E_RNA)
where:
Base-Base interactions energy: -1147.292
where: short stacking energy: -463.144
Base-Backbone interact. energy: -1.638
local terms energy: -487.996083
where:
bonds (distance) C4'-P energy: -96.180
bonds (distance) P-C4' energy: -100.406
flat angles C4'-P-C4' energy: -102.956
flat angles P-C4'-P energy: -69.834
tors. eta vs tors. theta energy: -118.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1492.607785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.607785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.607785 (E_RNA)
where:
Base-Base interactions energy: -1042.012
where: short stacking energy: -432.491
Base-Backbone interact. energy: -1.271
local terms energy: -449.324588
where:
bonds (distance) C4'-P energy: -83.257
bonds (distance) P-C4' energy: -85.200
flat angles C4'-P-C4' energy: -107.858
flat angles P-C4'-P energy: -70.580
tors. eta vs tors. theta energy: -102.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1567.274866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.274866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.274866 (E_RNA)
where:
Base-Base interactions energy: -1088.826
where: short stacking energy: -457.975
Base-Backbone interact. energy: -2.280
local terms energy: -476.168992
where:
bonds (distance) C4'-P energy: -89.222
bonds (distance) P-C4' energy: -93.281
flat angles C4'-P-C4' energy: -97.571
flat angles P-C4'-P energy: -64.421
tors. eta vs tors. theta energy: -131.675
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: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1462.920320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.920320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.920320 (E_RNA)
where:
Base-Base interactions energy: -1002.808
where: short stacking energy: -399.636
Base-Backbone interact. energy: -0.968
local terms energy: -459.143779
where:
bonds (distance) C4'-P energy: -89.437
bonds (distance) P-C4' energy: -105.114
flat angles C4'-P-C4' energy: -89.461
flat angles P-C4'-P energy: -63.646
tors. eta vs tors. theta energy: -111.486
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: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1223.009145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.009145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.009145 (E_RNA)
where:
Base-Base interactions energy: -822.356
where: short stacking energy: -364.176
Base-Backbone interact. energy: -2.327
local terms energy: -398.326494
where:
bonds (distance) C4'-P energy: -81.290
bonds (distance) P-C4' energy: -89.852
flat angles C4'-P-C4' energy: -91.238
flat angles P-C4'-P energy: -57.171
tors. eta vs tors. theta energy: -78.775
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: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1109.534934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.534934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.534934 (E_RNA)
where:
Base-Base interactions energy: -731.219
where: short stacking energy: -323.204
Base-Backbone interact. energy: -0.642
local terms energy: -377.674565
where:
bonds (distance) C4'-P energy: -87.336
bonds (distance) P-C4' energy: -80.830
flat angles C4'-P-C4' energy: -96.713
flat angles P-C4'-P energy: -44.089
tors. eta vs tors. theta energy: -68.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -568.460460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.460460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.460460 (E_RNA)
where:
Base-Base interactions energy: -271.061
where: short stacking energy: -159.987
Base-Backbone interact. energy: -2.867
local terms energy: -294.532328
where:
bonds (distance) C4'-P energy: -79.906
bonds (distance) P-C4' energy: -98.994
flat angles C4'-P-C4' energy: -84.318
flat angles P-C4'-P energy: -40.320
tors. eta vs tors. theta energy: 9.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1860.623404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.623404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.623404 (E_RNA)
where:
Base-Base interactions energy: -1321.574
where: short stacking energy: -521.340
Base-Backbone interact. energy: -3.948
local terms energy: -535.100798
where:
bonds (distance) C4'-P energy: -94.577
bonds (distance) P-C4' energy: -105.821
flat angles C4'-P-C4' energy: -118.966
flat angles P-C4'-P energy: -67.560
tors. eta vs tors. theta energy: -148.176
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: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1807.766377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.766377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.766377 (E_RNA)
where:
Base-Base interactions energy: -1267.237
where: short stacking energy: -539.897
Base-Backbone interact. energy: -2.012
local terms energy: -538.516645
where:
bonds (distance) C4'-P energy: -99.577
bonds (distance) P-C4' energy: -98.858
flat angles C4'-P-C4' energy: -110.302
flat angles P-C4'-P energy: -83.151
tors. eta vs tors. theta energy: -146.628
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: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1646.713144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.713144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.713144 (E_RNA)
where:
Base-Base interactions energy: -1196.238
where: short stacking energy: -492.811
Base-Backbone interact. energy: 0.869
local terms energy: -451.343570
where:
bonds (distance) C4'-P energy: -84.321
bonds (distance) P-C4' energy: -66.358
flat angles C4'-P-C4' energy: -105.938
flat angles P-C4'-P energy: -74.271
tors. eta vs tors. theta energy: -120.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1611.690538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.690538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.690538 (E_RNA)
where:
Base-Base interactions energy: -1149.458
where: short stacking energy: -473.588
Base-Backbone interact. energy: -3.199
local terms energy: -459.034009
where:
bonds (distance) C4'-P energy: -79.664
bonds (distance) P-C4' energy: -79.615
flat angles C4'-P-C4' energy: -112.132
flat angles P-C4'-P energy: -72.041
tors. eta vs tors. theta energy: -115.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1556.687658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.687658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.687658 (E_RNA)
where:
Base-Base interactions energy: -1107.871
where: short stacking energy: -452.953
Base-Backbone interact. energy: -3.202
local terms energy: -445.615267
where:
bonds (distance) C4'-P energy: -71.799
bonds (distance) P-C4' energy: -88.636
flat angles C4'-P-C4' energy: -113.865
flat angles P-C4'-P energy: -68.508
tors. eta vs tors. theta energy: -102.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1511.980310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.980310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.980310 (E_RNA)
where:
Base-Base interactions energy: -1042.566
where: short stacking energy: -445.753
Base-Backbone interact. energy: -2.505
local terms energy: -466.909323
where:
bonds (distance) C4'-P energy: -95.505
bonds (distance) P-C4' energy: -94.253
flat angles C4'-P-C4' energy: -93.460
flat angles P-C4'-P energy: -62.660
tors. eta vs tors. theta energy: -121.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1477.177314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.177314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.177314 (E_RNA)
where:
Base-Base interactions energy: -1043.051
where: short stacking energy: -433.504
Base-Backbone interact. energy: 0.707
local terms energy: -434.832869
where:
bonds (distance) C4'-P energy: -85.635
bonds (distance) P-C4' energy: -90.195
flat angles C4'-P-C4' energy: -99.237
flat angles P-C4'-P energy: -54.750
tors. eta vs tors. theta energy: -105.015
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: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1290.996673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.996673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.996673 (E_RNA)
where:
Base-Base interactions energy: -871.216
where: short stacking energy: -380.506
Base-Backbone interact. energy: -1.558
local terms energy: -418.221809
where:
bonds (distance) C4'-P energy: -78.625
bonds (distance) P-C4' energy: -109.222
flat angles C4'-P-C4' energy: -88.890
flat angles P-C4'-P energy: -51.506
tors. eta vs tors. theta energy: -89.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1156.889809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.889809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.889809 (E_RNA)
where:
Base-Base interactions energy: -746.432
where: short stacking energy: -329.778
Base-Backbone interact. energy: -1.473
local terms energy: -408.985346
where:
bonds (distance) C4'-P energy: -102.942
bonds (distance) P-C4' energy: -101.771
flat angles C4'-P-C4' energy: -74.283
flat angles P-C4'-P energy: -57.898
tors. eta vs tors. theta energy: -72.091
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: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -532.474192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.474192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.474192 (E_RNA)
where:
Base-Base interactions energy: -263.913
where: short stacking energy: -148.641
Base-Backbone interact. energy: 0.640
local terms energy: -269.201953
where:
bonds (distance) C4'-P energy: -79.842
bonds (distance) P-C4' energy: -93.399
flat angles C4'-P-C4' energy: -57.970
flat angles P-C4'-P energy: -42.914
tors. eta vs tors. theta energy: 4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1892.874966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.874966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.874966 (E_RNA)
where:
Base-Base interactions energy: -1335.192
where: short stacking energy: -526.112
Base-Backbone interact. energy: -2.715
local terms energy: -554.967602
where:
bonds (distance) C4'-P energy: -107.594
bonds (distance) P-C4' energy: -99.839
flat angles C4'-P-C4' energy: -115.517
flat angles P-C4'-P energy: -81.853
tors. eta vs tors. theta energy: -150.166
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: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1779.325442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.325442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.325442 (E_RNA)
where:
Base-Base interactions energy: -1251.264
where: short stacking energy: -525.928
Base-Backbone interact. energy: 0.329
local terms energy: -528.390552
where:
bonds (distance) C4'-P energy: -98.601
bonds (distance) P-C4' energy: -97.303
flat angles C4'-P-C4' energy: -117.798
flat angles P-C4'-P energy: -72.757
tors. eta vs tors. theta energy: -141.932
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: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1683.572586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.572586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.572586 (E_RNA)
where:
Base-Base interactions energy: -1187.975
where: short stacking energy: -482.791
Base-Backbone interact. energy: -0.473
local terms energy: -495.123973
where:
bonds (distance) C4'-P energy: -85.475
bonds (distance) P-C4' energy: -102.464
flat angles C4'-P-C4' energy: -110.164
flat angles P-C4'-P energy: -75.034
tors. eta vs tors. theta energy: -121.987
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: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1646.177416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.177416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.177416 (E_RNA)
where:
Base-Base interactions energy: -1157.186
where: short stacking energy: -441.948
Base-Backbone interact. energy: -2.723
local terms energy: -486.268569
where:
bonds (distance) C4'-P energy: -96.586
bonds (distance) P-C4' energy: -94.308
flat angles C4'-P-C4' energy: -106.772
flat angles P-C4'-P energy: -66.139
tors. eta vs tors. theta energy: -122.463
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: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1591.482407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.482407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.482407 (E_RNA)
where:
Base-Base interactions energy: -1113.923
where: short stacking energy: -433.665
Base-Backbone interact. energy: 3.744
local terms energy: -481.303965
where:
bonds (distance) C4'-P energy: -91.447
bonds (distance) P-C4' energy: -98.946
flat angles C4'-P-C4' energy: -95.021
flat angles P-C4'-P energy: -71.975
tors. eta vs tors. theta energy: -123.915
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: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1457.616427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.616427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.616427 (E_RNA)
where:
Base-Base interactions energy: -1014.149
where: short stacking energy: -415.107
Base-Backbone interact. energy: -1.178
local terms energy: -442.289183
where:
bonds (distance) C4'-P energy: -87.222
bonds (distance) P-C4' energy: -84.045
flat angles C4'-P-C4' energy: -102.865
flat angles P-C4'-P energy: -59.076
tors. eta vs tors. theta energy: -109.081
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: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1481.485710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.485710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.485710 (E_RNA)
where:
Base-Base interactions energy: -1033.176
where: short stacking energy: -420.341
Base-Backbone interact. energy: 0.713
local terms energy: -449.022726
where:
bonds (distance) C4'-P energy: -74.846
bonds (distance) P-C4' energy: -87.603
flat angles C4'-P-C4' energy: -103.375
flat angles P-C4'-P energy: -70.289
tors. eta vs tors. theta energy: -112.909
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: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1247.284304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.284304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.284304 (E_RNA)
where:
Base-Base interactions energy: -863.828
where: short stacking energy: -364.360
Base-Backbone interact. energy: 0.404
local terms energy: -383.860376
where:
bonds (distance) C4'-P energy: -73.549
bonds (distance) P-C4' energy: -83.077
flat angles C4'-P-C4' energy: -91.711
flat angles P-C4'-P energy: -57.645
tors. eta vs tors. theta energy: -77.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1104.358144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.358144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.358144 (E_RNA)
where:
Base-Base interactions energy: -736.199
where: short stacking energy: -318.984
Base-Backbone interact. energy: 0.583
local terms energy: -368.742385
where:
bonds (distance) C4'-P energy: -74.924
bonds (distance) P-C4' energy: -92.174
flat angles C4'-P-C4' energy: -90.788
flat angles P-C4'-P energy: -55.001
tors. eta vs tors. theta energy: -55.855
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: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -544.999198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.999198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.999198 (E_RNA)
where:
Base-Base interactions energy: -285.631
where: short stacking energy: -163.781
Base-Backbone interact. energy: -1.695
local terms energy: -257.672869
where:
bonds (distance) C4'-P energy: -78.336
bonds (distance) P-C4' energy: -72.640
flat angles C4'-P-C4' energy: -70.029
flat angles P-C4'-P energy: -40.211
tors. eta vs tors. theta energy: 3.542
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: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1882.962147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.962147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.962147 (E_RNA)
where:
Base-Base interactions energy: -1335.688
where: short stacking energy: -517.225
Base-Backbone interact. energy: -3.126
local terms energy: -544.148263
where:
bonds (distance) C4'-P energy: -103.654
bonds (distance) P-C4' energy: -113.473
flat angles C4'-P-C4' energy: -117.652
flat angles P-C4'-P energy: -70.745
tors. eta vs tors. theta energy: -138.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1802.381299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.381299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.381299 (E_RNA)
where:
Base-Base interactions energy: -1260.548
where: short stacking energy: -521.734
Base-Backbone interact. energy: -1.358
local terms energy: -540.474986
where:
bonds (distance) C4'-P energy: -84.959
bonds (distance) P-C4' energy: -104.369
flat angles C4'-P-C4' energy: -125.811
flat angles P-C4'-P energy: -74.681
tors. eta vs tors. theta energy: -150.655
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: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1703.073400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.073400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.073400 (E_RNA)
where:
Base-Base interactions energy: -1195.140
where: short stacking energy: -477.891
Base-Backbone interact. energy: -1.323
local terms energy: -506.609869
where:
bonds (distance) C4'-P energy: -98.419
bonds (distance) P-C4' energy: -96.103
flat angles C4'-P-C4' energy: -118.201
flat angles P-C4'-P energy: -66.392
tors. eta vs tors. theta energy: -127.496
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: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1611.640096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.640096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.640096 (E_RNA)
where:
Base-Base interactions energy: -1125.127
where: short stacking energy: -456.453
Base-Backbone interact. energy: 3.472
local terms energy: -489.984973
where:
bonds (distance) C4'-P energy: -83.685
bonds (distance) P-C4' energy: -104.164
flat angles C4'-P-C4' energy: -111.769
flat angles P-C4'-P energy: -63.643
tors. eta vs tors. theta energy: -126.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1559.934367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.934367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.934367 (E_RNA)
where:
Base-Base interactions energy: -1097.414
where: short stacking energy: -435.426
Base-Backbone interact. energy: -3.906
local terms energy: -458.614610
where:
bonds (distance) C4'-P energy: -90.091
bonds (distance) P-C4' energy: -98.693
flat angles C4'-P-C4' energy: -91.071
flat angles P-C4'-P energy: -70.808
tors. eta vs tors. theta energy: -107.952
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: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1471.625801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.625801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.625801 (E_RNA)
where:
Base-Base interactions energy: -1035.929
where: short stacking energy: -430.647
Base-Backbone interact. energy: -5.410
local terms energy: -430.287039
where:
bonds (distance) C4'-P energy: -69.519
bonds (distance) P-C4' energy: -81.019
flat angles C4'-P-C4' energy: -90.966
flat angles P-C4'-P energy: -72.657
tors. eta vs tors. theta energy: -116.126
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: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1491.499294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.499294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.499294 (E_RNA)
where:
Base-Base interactions energy: -1017.621
where: short stacking energy: -398.323
Base-Backbone interact. energy: -2.825
local terms energy: -471.053215
where:
bonds (distance) C4'-P energy: -95.815
bonds (distance) P-C4' energy: -101.547
flat angles C4'-P-C4' energy: -96.940
flat angles P-C4'-P energy: -69.422
tors. eta vs tors. theta energy: -107.330
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: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1253.936935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.936935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.936935 (E_RNA)
where:
Base-Base interactions energy: -876.332
where: short stacking energy: -388.155
Base-Backbone interact. energy: -0.566
local terms energy: -377.038694
where:
bonds (distance) C4'-P energy: -84.748
bonds (distance) P-C4' energy: -67.980
flat angles C4'-P-C4' energy: -74.243
flat angles P-C4'-P energy: -55.165
tors. eta vs tors. theta energy: -94.902
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: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1119.280009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.280009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.280009 (E_RNA)
where:
Base-Base interactions energy: -771.856
where: short stacking energy: -322.575
Base-Backbone interact. energy: -0.538
local terms energy: -346.885783
where:
bonds (distance) C4'-P energy: -75.682
bonds (distance) P-C4' energy: -92.305
flat angles C4'-P-C4' energy: -70.597
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: -68.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -617.265320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.265320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.265320 (E_RNA)
where:
Base-Base interactions energy: -308.709
where: short stacking energy: -172.766
Base-Backbone interact. energy: -2.139
local terms energy: -306.416952
where:
bonds (distance) C4'-P energy: -65.366
bonds (distance) P-C4' energy: -95.005
flat angles C4'-P-C4' energy: -82.872
flat angles P-C4'-P energy: -54.334
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1887.493666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.493666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.493666 (E_RNA)
where:
Base-Base interactions energy: -1348.489
where: short stacking energy: -520.001
Base-Backbone interact. energy: -3.222
local terms energy: -535.782965
where:
bonds (distance) C4'-P energy: -97.504
bonds (distance) P-C4' energy: -107.767
flat angles C4'-P-C4' energy: -118.355
flat angles P-C4'-P energy: -71.941
tors. eta vs tors. theta energy: -140.217
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: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1798.507513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.507513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.507513 (E_RNA)
where:
Base-Base interactions energy: -1270.036
where: short stacking energy: -528.333
Base-Backbone interact. energy: -5.623
local terms energy: -522.848642
where:
bonds (distance) C4'-P energy: -106.351
bonds (distance) P-C4' energy: -88.719
flat angles C4'-P-C4' energy: -112.188
flat angles P-C4'-P energy: -68.655
tors. eta vs tors. theta energy: -146.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1688.287005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.287005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.287005 (E_RNA)
where:
Base-Base interactions energy: -1185.587
where: short stacking energy: -523.543
Base-Backbone interact. energy: -2.690
local terms energy: -500.009518
where:
bonds (distance) C4'-P energy: -91.701
bonds (distance) P-C4' energy: -99.867
flat angles C4'-P-C4' energy: -105.211
flat angles P-C4'-P energy: -75.010
tors. eta vs tors. theta energy: -128.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1619.310106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.310106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.310106 (E_RNA)
where:
Base-Base interactions energy: -1129.624
where: short stacking energy: -489.772
Base-Backbone interact. energy: -2.997
local terms energy: -486.689691
where:
bonds (distance) C4'-P energy: -100.890
bonds (distance) P-C4' energy: -100.952
flat angles C4'-P-C4' energy: -101.285
flat angles P-C4'-P energy: -64.167
tors. eta vs tors. theta energy: -119.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1563.364778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.364778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.364778 (E_RNA)
where:
Base-Base interactions energy: -1104.473
where: short stacking energy: -451.496
Base-Backbone interact. energy: -1.473
local terms energy: -457.418819
where:
bonds (distance) C4'-P energy: -77.847
bonds (distance) P-C4' energy: -90.549
flat angles C4'-P-C4' energy: -91.020
flat angles P-C4'-P energy: -74.598
tors. eta vs tors. theta energy: -123.405
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: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1502.415111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.415111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.415111 (E_RNA)
where:
Base-Base interactions energy: -1052.046
where: short stacking energy: -426.564
Base-Backbone interact. energy: 5.130
local terms energy: -455.498474
where:
bonds (distance) C4'-P energy: -78.578
bonds (distance) P-C4' energy: -90.419
flat angles C4'-P-C4' energy: -100.881
flat angles P-C4'-P energy: -69.111
tors. eta vs tors. theta energy: -116.509
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: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1426.981598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.981598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.981598 (E_RNA)
where:
Base-Base interactions energy: -1005.036
where: short stacking energy: -437.181
Base-Backbone interact. energy: -2.565
local terms energy: -419.380469
where:
bonds (distance) C4'-P energy: -74.150
bonds (distance) P-C4' energy: -79.935
flat angles C4'-P-C4' energy: -97.323
flat angles P-C4'-P energy: -67.512
tors. eta vs tors. theta energy: -100.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1288.557141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.557141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.557141 (E_RNA)
where:
Base-Base interactions energy: -880.741
where: short stacking energy: -376.144
Base-Backbone interact. energy: -3.564
local terms energy: -404.252231
where:
bonds (distance) C4'-P energy: -80.224
bonds (distance) P-C4' energy: -94.873
flat angles C4'-P-C4' energy: -100.741
flat angles P-C4'-P energy: -33.233
tors. eta vs tors. theta energy: -95.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1059.918634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.918634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.918634 (E_RNA)
where:
Base-Base interactions energy: -696.697
where: short stacking energy: -310.058
Base-Backbone interact. energy: -1.881
local terms energy: -361.340991
where:
bonds (distance) C4'-P energy: -81.694
bonds (distance) P-C4' energy: -101.004
flat angles C4'-P-C4' energy: -74.733
flat angles P-C4'-P energy: -42.305
tors. eta vs tors. theta energy: -61.605
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: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -630.597326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.597326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.597326 (E_RNA)
where:
Base-Base interactions energy: -329.953
where: short stacking energy: -167.930
Base-Backbone interact. energy: 2.197
local terms energy: -302.842048
where:
bonds (distance) C4'-P energy: -83.878
bonds (distance) P-C4' energy: -91.549
flat angles C4'-P-C4' energy: -74.340
flat angles P-C4'-P energy: -43.152
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1884.037754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.037754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.037754 (E_RNA)
where:
Base-Base interactions energy: -1357.756
where: short stacking energy: -523.997
Base-Backbone interact. energy: -1.055
local terms energy: -525.226552
where:
bonds (distance) C4'-P energy: -98.970
bonds (distance) P-C4' energy: -97.120
flat angles C4'-P-C4' energy: -112.256
flat angles P-C4'-P energy: -74.680
tors. eta vs tors. theta energy: -142.200
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: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1788.534812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.534812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.534812 (E_RNA)
where:
Base-Base interactions energy: -1259.776
where: short stacking energy: -518.087
Base-Backbone interact. energy: 0.952
local terms energy: -529.710761
where:
bonds (distance) C4'-P energy: -85.942
bonds (distance) P-C4' energy: -110.416
flat angles C4'-P-C4' energy: -106.543
flat angles P-C4'-P energy: -79.884
tors. eta vs tors. theta energy: -146.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1681.401175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.401175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.401175 (E_RNA)
where:
Base-Base interactions energy: -1181.091
where: short stacking energy: -489.598
Base-Backbone interact. energy: -1.869
local terms energy: -498.441248
where:
bonds (distance) C4'-P energy: -89.765
bonds (distance) P-C4' energy: -88.141
flat angles C4'-P-C4' energy: -108.142
flat angles P-C4'-P energy: -75.571
tors. eta vs tors. theta energy: -136.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1635.474738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.474738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.474738 (E_RNA)
where:
Base-Base interactions energy: -1162.720
where: short stacking energy: -476.593
Base-Backbone interact. energy: -2.954
local terms energy: -469.801230
where:
bonds (distance) C4'-P energy: -78.852
bonds (distance) P-C4' energy: -94.985
flat angles C4'-P-C4' energy: -103.796
flat angles P-C4'-P energy: -66.846
tors. eta vs tors. theta energy: -125.322
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: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1550.785082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.785082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.785082 (E_RNA)
where:
Base-Base interactions energy: -1094.555
where: short stacking energy: -449.646
Base-Backbone interact. energy: -1.058
local terms energy: -455.171351
where:
bonds (distance) C4'-P energy: -71.714
bonds (distance) P-C4' energy: -93.063
flat angles C4'-P-C4' energy: -107.658
flat angles P-C4'-P energy: -67.469
tors. eta vs tors. theta energy: -115.268
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: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1522.466287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.466287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.466287 (E_RNA)
where:
Base-Base interactions energy: -1072.865
where: short stacking energy: -414.596
Base-Backbone interact. energy: -2.319
local terms energy: -447.281620
where:
bonds (distance) C4'-P energy: -93.472
bonds (distance) P-C4' energy: -94.420
flat angles C4'-P-C4' energy: -99.471
flat angles P-C4'-P energy: -70.389
tors. eta vs tors. theta energy: -89.529
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: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1361.110947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.110947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.110947 (E_RNA)
where:
Base-Base interactions energy: -968.992
where: short stacking energy: -377.526
Base-Backbone interact. energy: -4.030
local terms energy: -388.089184
where:
bonds (distance) C4'-P energy: -71.394
bonds (distance) P-C4' energy: -90.679
flat angles C4'-P-C4' energy: -85.851
flat angles P-C4'-P energy: -54.613
tors. eta vs tors. theta energy: -85.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1298.118907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.118907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.118907 (E_RNA)
where:
Base-Base interactions energy: -873.404
where: short stacking energy: -362.455
Base-Backbone interact. energy: -3.343
local terms energy: -421.371736
where:
bonds (distance) C4'-P energy: -87.924
bonds (distance) P-C4' energy: -82.723
flat angles C4'-P-C4' energy: -100.535
flat angles P-C4'-P energy: -64.218
tors. eta vs tors. theta energy: -85.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1039.165291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.165291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.165291 (E_RNA)
where:
Base-Base interactions energy: -688.237
where: short stacking energy: -278.659
Base-Backbone interact. energy: 1.544
local terms energy: -352.472495
where:
bonds (distance) C4'-P energy: -74.944
bonds (distance) P-C4' energy: -91.930
flat angles C4'-P-C4' energy: -72.113
flat angles P-C4'-P energy: -52.230
tors. eta vs tors. theta energy: -61.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -606.482202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.482202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.482202 (E_RNA)
where:
Base-Base interactions energy: -348.301
where: short stacking energy: -181.524
Base-Backbone interact. energy: -1.362
local terms energy: -256.819376
where:
bonds (distance) C4'-P energy: -82.449
bonds (distance) P-C4' energy: -76.650
flat angles C4'-P-C4' energy: -60.655
flat angles P-C4'-P energy: -36.698
tors. eta vs tors. theta energy: -0.368
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: 133
Temperature: 0.900000
Total energy: -1865.186580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.186580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.186580 (E_RNA)
where:
Base-Base interactions energy: -1332.219
where: short stacking energy: -516.190
Base-Backbone interact. energy: -0.125
local terms energy: -532.842741
where:
bonds (distance) C4'-P energy: -99.221
bonds (distance) P-C4' energy: -107.596
flat angles C4'-P-C4' energy: -116.390
flat angles P-C4'-P energy: -77.772
tors. eta vs tors. theta energy: -131.864
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: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1801.302254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.302254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.302254 (E_RNA)
where:
Base-Base interactions energy: -1275.266
where: short stacking energy: -525.710
Base-Backbone interact. energy: -3.826
local terms energy: -522.209638
where:
bonds (distance) C4'-P energy: -93.152
bonds (distance) P-C4' energy: -105.848
flat angles C4'-P-C4' energy: -108.272
flat angles P-C4'-P energy: -74.763
tors. eta vs tors. theta energy: -140.175
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: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1683.021599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.021599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.021599 (E_RNA)
where:
Base-Base interactions energy: -1162.093
where: short stacking energy: -489.936
Base-Backbone interact. energy: 1.501
local terms energy: -522.429229
where:
bonds (distance) C4'-P energy: -108.643
bonds (distance) P-C4' energy: -101.035
flat angles C4'-P-C4' energy: -105.970
flat angles P-C4'-P energy: -81.230
tors. eta vs tors. theta energy: -125.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1623.929306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.929306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.929306 (E_RNA)
where:
Base-Base interactions energy: -1110.438
where: short stacking energy: -458.919
Base-Backbone interact. energy: -1.553
local terms energy: -511.938439
where:
bonds (distance) C4'-P energy: -91.244
bonds (distance) P-C4' energy: -111.542
flat angles C4'-P-C4' energy: -103.993
flat angles P-C4'-P energy: -79.772
tors. eta vs tors. theta energy: -125.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1535.756089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.756089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.756089 (E_RNA)
where:
Base-Base interactions energy: -1098.774
where: short stacking energy: -438.269
Base-Backbone interact. energy: -0.891
local terms energy: -436.090719
where:
bonds (distance) C4'-P energy: -86.401
bonds (distance) P-C4' energy: -90.726
flat angles C4'-P-C4' energy: -99.656
flat angles P-C4'-P energy: -47.394
tors. eta vs tors. theta energy: -111.915
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: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1536.492598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.492598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.492598 (E_RNA)
where:
Base-Base interactions energy: -1097.128
where: short stacking energy: -434.486
Base-Backbone interact. energy: 0.834
local terms energy: -440.198324
where:
bonds (distance) C4'-P energy: -81.364
bonds (distance) P-C4' energy: -95.893
flat angles C4'-P-C4' energy: -90.306
flat angles P-C4'-P energy: -55.064
tors. eta vs tors. theta energy: -117.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1392.565775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.565775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.565775 (E_RNA)
where:
Base-Base interactions energy: -948.196
where: short stacking energy: -380.392
Base-Backbone interact. energy: -1.436
local terms energy: -442.933124
where:
bonds (distance) C4'-P energy: -89.197
bonds (distance) P-C4' energy: -95.806
flat angles C4'-P-C4' energy: -108.811
flat angles P-C4'-P energy: -64.231
tors. eta vs tors. theta energy: -84.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1303.483106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.483106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.483106 (E_RNA)
where:
Base-Base interactions energy: -909.950
where: short stacking energy: -387.776
Base-Backbone interact. energy: -1.818
local terms energy: -391.714618
where:
bonds (distance) C4'-P energy: -83.363
bonds (distance) P-C4' energy: -76.761
flat angles C4'-P-C4' energy: -95.953
flat angles P-C4'-P energy: -44.475
tors. eta vs tors. theta energy: -91.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1033.890463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.890463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.890463 (E_RNA)
where:
Base-Base interactions energy: -666.153
where: short stacking energy: -286.832
Base-Backbone interact. energy: -2.029
local terms energy: -365.708155
where:
bonds (distance) C4'-P energy: -84.162
bonds (distance) P-C4' energy: -85.703
flat angles C4'-P-C4' energy: -93.050
flat angles P-C4'-P energy: -57.129
tors. eta vs tors. theta energy: -45.665
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: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -542.422679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.422679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.422679 (E_RNA)
where:
Base-Base interactions energy: -257.479
where: short stacking energy: -148.735
Base-Backbone interact. energy: 1.733
local terms energy: -286.676607
where:
bonds (distance) C4'-P energy: -95.032
bonds (distance) P-C4' energy: -78.340
flat angles C4'-P-C4' energy: -57.269
flat angles P-C4'-P energy: -52.015
tors. eta vs tors. theta energy: -4.020
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: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1878.898675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.898675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.898675 (E_RNA)
where:
Base-Base interactions energy: -1335.438
where: short stacking energy: -527.305
Base-Backbone interact. energy: -1.020
local terms energy: -542.440325
where:
bonds (distance) C4'-P energy: -93.309
bonds (distance) P-C4' energy: -95.892
flat angles C4'-P-C4' energy: -118.714
flat angles P-C4'-P energy: -84.320
tors. eta vs tors. theta energy: -150.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1777.944782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.944782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.944782 (E_RNA)
where:
Base-Base interactions energy: -1235.084
where: short stacking energy: -515.838
Base-Backbone interact. energy: 2.294
local terms energy: -545.155007
where:
bonds (distance) C4'-P energy: -107.215
bonds (distance) P-C4' energy: -98.971
flat angles C4'-P-C4' energy: -119.090
flat angles P-C4'-P energy: -71.520
tors. eta vs tors. theta energy: -148.359
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: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1676.417300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.417300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.417300 (E_RNA)
where:
Base-Base interactions energy: -1164.327
where: short stacking energy: -492.425
Base-Backbone interact. energy: -0.533
local terms energy: -511.557538
where:
bonds (distance) C4'-P energy: -96.552
bonds (distance) P-C4' energy: -96.667
flat angles C4'-P-C4' energy: -111.376
flat angles P-C4'-P energy: -68.932
tors. eta vs tors. theta energy: -138.031
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: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1624.646148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.646148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.646148 (E_RNA)
where:
Base-Base interactions energy: -1129.579
where: short stacking energy: -448.009
Base-Backbone interact. energy: -4.218
local terms energy: -490.848594
where:
bonds (distance) C4'-P energy: -91.394
bonds (distance) P-C4' energy: -97.846
flat angles C4'-P-C4' energy: -110.271
flat angles P-C4'-P energy: -72.163
tors. eta vs tors. theta energy: -119.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1604.276011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.276011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.276011 (E_RNA)
where:
Base-Base interactions energy: -1121.812
where: short stacking energy: -447.026
Base-Backbone interact. energy: -1.959
local terms energy: -480.504840
where:
bonds (distance) C4'-P energy: -103.426
bonds (distance) P-C4' energy: -82.853
flat angles C4'-P-C4' energy: -111.644
flat angles P-C4'-P energy: -73.364
tors. eta vs tors. theta energy: -109.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1487.580635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.580635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.580635 (E_RNA)
where:
Base-Base interactions energy: -1057.316
where: short stacking energy: -428.390
Base-Backbone interact. energy: 3.285
local terms energy: -433.549136
where:
bonds (distance) C4'-P energy: -83.799
bonds (distance) P-C4' energy: -88.094
flat angles C4'-P-C4' energy: -100.333
flat angles P-C4'-P energy: -55.633
tors. eta vs tors. theta energy: -105.691
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: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1337.882205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.882205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.882205 (E_RNA)
where:
Base-Base interactions energy: -902.094
where: short stacking energy: -373.488
Base-Backbone interact. energy: -4.915
local terms energy: -430.873069
where:
bonds (distance) C4'-P energy: -71.227
bonds (distance) P-C4' energy: -93.922
flat angles C4'-P-C4' energy: -101.481
flat angles P-C4'-P energy: -66.143
tors. eta vs tors. theta energy: -98.101
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: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1281.897350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.897350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.897350 (E_RNA)
where:
Base-Base interactions energy: -886.622
where: short stacking energy: -358.327
Base-Backbone interact. energy: -2.725
local terms energy: -392.550493
where:
bonds (distance) C4'-P energy: -74.651
bonds (distance) P-C4' energy: -89.054
flat angles C4'-P-C4' energy: -92.314
flat angles P-C4'-P energy: -48.565
tors. eta vs tors. theta energy: -87.966
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: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1003.621436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.621436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.621436 (E_RNA)
where:
Base-Base interactions energy: -635.530
where: short stacking energy: -296.334
Base-Backbone interact. energy: 1.227
local terms energy: -369.318415
where:
bonds (distance) C4'-P energy: -84.282
bonds (distance) P-C4' energy: -93.189
flat angles C4'-P-C4' energy: -79.654
flat angles P-C4'-P energy: -58.479
tors. eta vs tors. theta energy: -53.714
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: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -570.528026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.528026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.528026 (E_RNA)
where:
Base-Base interactions energy: -303.672
where: short stacking energy: -196.639
Base-Backbone interact. energy: 0.603
local terms energy: -267.458275
where:
bonds (distance) C4'-P energy: -67.609
bonds (distance) P-C4' energy: -77.862
flat angles C4'-P-C4' energy: -63.876
flat angles P-C4'-P energy: -47.374
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1864.353454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.353454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.353454 (E_RNA)
where:
Base-Base interactions energy: -1317.718
where: short stacking energy: -522.423
Base-Backbone interact. energy: -2.287
local terms energy: -544.348384
where:
bonds (distance) C4'-P energy: -102.549
bonds (distance) P-C4' energy: -105.704
flat angles C4'-P-C4' energy: -113.847
flat angles P-C4'-P energy: -76.837
tors. eta vs tors. theta energy: -145.411
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: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1811.521924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.521924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.521924 (E_RNA)
where:
Base-Base interactions energy: -1261.722
where: short stacking energy: -507.815
Base-Backbone interact. energy: -2.643
local terms energy: -547.156867
where:
bonds (distance) C4'-P energy: -111.696
bonds (distance) P-C4' energy: -106.197
flat angles C4'-P-C4' energy: -116.097
flat angles P-C4'-P energy: -69.997
tors. eta vs tors. theta energy: -143.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1669.955228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.955228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.955228 (E_RNA)
where:
Base-Base interactions energy: -1177.914
where: short stacking energy: -487.491
Base-Backbone interact. energy: -3.414
local terms energy: -488.627254
where:
bonds (distance) C4'-P energy: -81.805
bonds (distance) P-C4' energy: -99.641
flat angles C4'-P-C4' energy: -100.658
flat angles P-C4'-P energy: -70.796
tors. eta vs tors. theta energy: -135.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1623.875391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.875391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.875391 (E_RNA)
where:
Base-Base interactions energy: -1159.026
where: short stacking energy: -466.631
Base-Backbone interact. energy: -2.090
local terms energy: -462.759513
where:
bonds (distance) C4'-P energy: -86.563
bonds (distance) P-C4' energy: -93.750
flat angles C4'-P-C4' energy: -103.338
flat angles P-C4'-P energy: -59.209
tors. eta vs tors. theta energy: -119.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1599.416923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.416923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.416923 (E_RNA)
where:
Base-Base interactions energy: -1120.806
where: short stacking energy: -448.938
Base-Backbone interact. energy: -0.759
local terms energy: -477.852128
where:
bonds (distance) C4'-P energy: -84.148
bonds (distance) P-C4' energy: -86.470
flat angles C4'-P-C4' energy: -100.746
flat angles P-C4'-P energy: -83.091
tors. eta vs tors. theta energy: -123.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1450.394716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.394716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.394716 (E_RNA)
where:
Base-Base interactions energy: -990.139
where: short stacking energy: -441.834
Base-Backbone interact. energy: -3.377
local terms energy: -456.878294
where:
bonds (distance) C4'-P energy: -86.191
bonds (distance) P-C4' energy: -95.413
flat angles C4'-P-C4' energy: -107.160
flat angles P-C4'-P energy: -55.675
tors. eta vs tors. theta energy: -112.440
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: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1428.211011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.211011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.211011 (E_RNA)
where:
Base-Base interactions energy: -982.081
where: short stacking energy: -407.429
Base-Backbone interact. energy: -1.041
local terms energy: -445.088742
where:
bonds (distance) C4'-P energy: -86.711
bonds (distance) P-C4' energy: -96.695
flat angles C4'-P-C4' energy: -94.726
flat angles P-C4'-P energy: -55.826
tors. eta vs tors. theta energy: -111.131
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: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1265.728215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.728215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.728215 (E_RNA)
where:
Base-Base interactions energy: -863.576
where: short stacking energy: -350.853
Base-Backbone interact. energy: -1.822
local terms energy: -400.330947
where:
bonds (distance) C4'-P energy: -78.271
bonds (distance) P-C4' energy: -80.684
flat angles C4'-P-C4' energy: -95.350
flat angles P-C4'-P energy: -64.907
tors. eta vs tors. theta energy: -81.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -975.915013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.915013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.915013 (E_RNA)
where:
Base-Base interactions energy: -593.973
where: short stacking energy: -250.007
Base-Backbone interact. energy: -1.488
local terms energy: -380.453849
where:
bonds (distance) C4'-P energy: -85.882
bonds (distance) P-C4' energy: -96.986
flat angles C4'-P-C4' energy: -100.385
flat angles P-C4'-P energy: -63.071
tors. eta vs tors. theta energy: -34.130
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: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -555.143395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.143395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.143395 (E_RNA)
where:
Base-Base interactions energy: -273.033
where: short stacking energy: -175.763
Base-Backbone interact. energy: -1.971
local terms energy: -280.139689
where:
bonds (distance) C4'-P energy: -76.547
bonds (distance) P-C4' energy: -89.813
flat angles C4'-P-C4' energy: -66.178
flat angles P-C4'-P energy: -41.749
tors. eta vs tors. theta energy: -5.853
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: 136
Temperature: 0.900000
Total energy: -1868.722749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.722749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.722749 (E_RNA)
where:
Base-Base interactions energy: -1324.065
where: short stacking energy: -515.080
Base-Backbone interact. energy: -2.904
local terms energy: -541.753858
where:
bonds (distance) C4'-P energy: -100.966
bonds (distance) P-C4' energy: -106.765
flat angles C4'-P-C4' energy: -118.116
flat angles P-C4'-P energy: -72.325
tors. eta vs tors. theta energy: -143.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1802.218824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.218824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.218824 (E_RNA)
where:
Base-Base interactions energy: -1277.832
where: short stacking energy: -509.749
Base-Backbone interact. energy: -2.365
local terms energy: -522.022219
where:
bonds (distance) C4'-P energy: -99.993
bonds (distance) P-C4' energy: -87.059
flat angles C4'-P-C4' energy: -114.913
flat angles P-C4'-P energy: -81.621
tors. eta vs tors. theta energy: -138.436
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: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1690.848813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.848813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.848813 (E_RNA)
where:
Base-Base interactions energy: -1199.875
where: short stacking energy: -467.995
Base-Backbone interact. energy: -3.740
local terms energy: -487.233540
where:
bonds (distance) C4'-P energy: -92.574
bonds (distance) P-C4' energy: -92.575
flat angles C4'-P-C4' energy: -102.782
flat angles P-C4'-P energy: -74.314
tors. eta vs tors. theta energy: -124.989
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: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1630.596915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.596915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.596915 (E_RNA)
where:
Base-Base interactions energy: -1131.863
where: short stacking energy: -452.742
Base-Backbone interact. energy: -0.319
local terms energy: -498.414462
where:
bonds (distance) C4'-P energy: -108.389
bonds (distance) P-C4' energy: -99.786
flat angles C4'-P-C4' energy: -99.289
flat angles P-C4'-P energy: -69.676
tors. eta vs tors. theta energy: -121.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1609.664552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.664552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.664552 (E_RNA)
where:
Base-Base interactions energy: -1143.020
where: short stacking energy: -458.691
Base-Backbone interact. energy: 3.082
local terms energy: -469.725681
where:
bonds (distance) C4'-P energy: -96.959
bonds (distance) P-C4' energy: -86.918
flat angles C4'-P-C4' energy: -106.532
flat angles P-C4'-P energy: -63.648
tors. eta vs tors. theta energy: -115.669
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: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1414.124205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.124205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.124205 (E_RNA)
where:
Base-Base interactions energy: -996.524
where: short stacking energy: -422.076
Base-Backbone interact. energy: -1.346
local terms energy: -416.254401
where:
bonds (distance) C4'-P energy: -64.411
bonds (distance) P-C4' energy: -86.350
flat angles C4'-P-C4' energy: -93.915
flat angles P-C4'-P energy: -69.601
tors. eta vs tors. theta energy: -101.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1398.339853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.339853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.339853 (E_RNA)
where:
Base-Base interactions energy: -985.030
where: short stacking energy: -394.974
Base-Backbone interact. energy: -0.475
local terms energy: -412.835434
where:
bonds (distance) C4'-P energy: -84.502
bonds (distance) P-C4' energy: -86.263
flat angles C4'-P-C4' energy: -98.186
flat angles P-C4'-P energy: -49.559
tors. eta vs tors. theta energy: -94.326
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: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1319.239175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.239175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.239175 (E_RNA)
where:
Base-Base interactions energy: -936.463
where: short stacking energy: -373.124
Base-Backbone interact. energy: -1.014
local terms energy: -381.762249
where:
bonds (distance) C4'-P energy: -78.846
bonds (distance) P-C4' energy: -73.605
flat angles C4'-P-C4' energy: -92.425
flat angles P-C4'-P energy: -49.240
tors. eta vs tors. theta energy: -87.646
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: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1023.958035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.958035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.958035 (E_RNA)
where:
Base-Base interactions energy: -670.429
where: short stacking energy: -300.770
Base-Backbone interact. energy: 0.366
local terms energy: -353.894982
where:
bonds (distance) C4'-P energy: -75.210
bonds (distance) P-C4' energy: -78.836
flat angles C4'-P-C4' energy: -85.186
flat angles P-C4'-P energy: -46.700
tors. eta vs tors. theta energy: -67.962
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: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -588.396578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.396578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.396578 (E_RNA)
where:
Base-Base interactions energy: -301.137
where: short stacking energy: -187.553
Base-Backbone interact. energy: -0.787
local terms energy: -286.473188
where:
bonds (distance) C4'-P energy: -74.065
bonds (distance) P-C4' energy: -81.396
flat angles C4'-P-C4' energy: -62.645
flat angles P-C4'-P energy: -60.458
tors. eta vs tors. theta energy: -7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1868.221264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.221264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.221264 (E_RNA)
where:
Base-Base interactions energy: -1334.256
where: short stacking energy: -518.942
Base-Backbone interact. energy: -2.382
local terms energy: -531.583289
where:
bonds (distance) C4'-P energy: -96.410
bonds (distance) P-C4' energy: -102.403
flat angles C4'-P-C4' energy: -118.637
flat angles P-C4'-P energy: -73.420
tors. eta vs tors. theta energy: -140.713
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: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1781.085796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.085796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.085796 (E_RNA)
where:
Base-Base interactions energy: -1257.145
where: short stacking energy: -531.640
Base-Backbone interact. energy: -2.900
local terms energy: -521.040647
where:
bonds (distance) C4'-P energy: -93.886
bonds (distance) P-C4' energy: -104.252
flat angles C4'-P-C4' energy: -107.277
flat angles P-C4'-P energy: -71.514
tors. eta vs tors. theta energy: -144.112
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: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1698.859328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.859328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.859328 (E_RNA)
where:
Base-Base interactions energy: -1200.210
where: short stacking energy: -506.484
Base-Backbone interact. energy: -3.534
local terms energy: -495.114503
where:
bonds (distance) C4'-P energy: -83.089
bonds (distance) P-C4' energy: -93.774
flat angles C4'-P-C4' energy: -119.406
flat angles P-C4'-P energy: -75.133
tors. eta vs tors. theta energy: -123.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1682.032255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.032255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.032255 (E_RNA)
where:
Base-Base interactions energy: -1189.360
where: short stacking energy: -483.515
Base-Backbone interact. energy: -1.167
local terms energy: -491.504806
where:
bonds (distance) C4'-P energy: -82.536
bonds (distance) P-C4' energy: -101.459
flat angles C4'-P-C4' energy: -102.697
flat angles P-C4'-P energy: -66.055
tors. eta vs tors. theta energy: -138.758
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: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1584.371692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.371692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.371692 (E_RNA)
where:
Base-Base interactions energy: -1119.248
where: short stacking energy: -434.927
Base-Backbone interact. energy: -0.532
local terms energy: -464.592080
where:
bonds (distance) C4'-P energy: -91.252
bonds (distance) P-C4' energy: -90.406
flat angles C4'-P-C4' energy: -103.519
flat angles P-C4'-P energy: -63.048
tors. eta vs tors. theta energy: -116.367
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: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1473.043683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.043683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.043683 (E_RNA)
where:
Base-Base interactions energy: -1014.077
where: short stacking energy: -436.705
Base-Backbone interact. energy: -2.356
local terms energy: -456.610828
where:
bonds (distance) C4'-P energy: -83.845
bonds (distance) P-C4' energy: -94.696
flat angles C4'-P-C4' energy: -103.509
flat angles P-C4'-P energy: -62.659
tors. eta vs tors. theta energy: -111.903
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: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1378.987136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.987136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.987136 (E_RNA)
where:
Base-Base interactions energy: -979.212
where: short stacking energy: -383.395
Base-Backbone interact. energy: -0.435
local terms energy: -399.340324
where:
bonds (distance) C4'-P energy: -86.644
bonds (distance) P-C4' energy: -86.631
flat angles C4'-P-C4' energy: -83.745
flat angles P-C4'-P energy: -51.510
tors. eta vs tors. theta energy: -90.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1262.164824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.164824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.164824 (E_RNA)
where:
Base-Base interactions energy: -847.817
where: short stacking energy: -343.199
Base-Backbone interact. energy: -0.063
local terms energy: -414.285417
where:
bonds (distance) C4'-P energy: -90.313
bonds (distance) P-C4' energy: -93.479
flat angles C4'-P-C4' energy: -90.740
flat angles P-C4'-P energy: -69.407
tors. eta vs tors. theta energy: -70.346
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: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1006.985558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.985558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.985558 (E_RNA)
where:
Base-Base interactions energy: -660.362
where: short stacking energy: -283.565
Base-Backbone interact. energy: 1.426
local terms energy: -348.050041
where:
bonds (distance) C4'-P energy: -79.678
bonds (distance) P-C4' energy: -80.616
flat angles C4'-P-C4' energy: -79.778
flat angles P-C4'-P energy: -47.095
tors. eta vs tors. theta energy: -60.883
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: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -615.900429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.900429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.900429 (E_RNA)
where:
Base-Base interactions energy: -317.626
where: short stacking energy: -167.118
Base-Backbone interact. energy: 0.421
local terms energy: -298.695858
where:
bonds (distance) C4'-P energy: -86.596
bonds (distance) P-C4' energy: -88.029
flat angles C4'-P-C4' energy: -84.774
flat angles P-C4'-P energy: -23.251
tors. eta vs tors. theta energy: -16.045
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: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1867.944426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.944426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.944426 (E_RNA)
where:
Base-Base interactions energy: -1336.519
where: short stacking energy: -527.299
Base-Backbone interact. energy: -8.712
local terms energy: -522.713580
where:
bonds (distance) C4'-P energy: -98.504
bonds (distance) P-C4' energy: -92.433
flat angles C4'-P-C4' energy: -109.426
flat angles P-C4'-P energy: -70.355
tors. eta vs tors. theta energy: -151.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1771.177692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.177692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.177692 (E_RNA)
where:
Base-Base interactions energy: -1222.334
where: short stacking energy: -517.251
Base-Backbone interact. energy: -5.196
local terms energy: -543.647950
where:
bonds (distance) C4'-P energy: -102.128
bonds (distance) P-C4' energy: -109.377
flat angles C4'-P-C4' energy: -107.795
flat angles P-C4'-P energy: -81.834
tors. eta vs tors. theta energy: -142.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1696.023185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.023185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.023185 (E_RNA)
where:
Base-Base interactions energy: -1185.997
where: short stacking energy: -483.128
Base-Backbone interact. energy: -0.965
local terms energy: -509.061103
where:
bonds (distance) C4'-P energy: -99.031
bonds (distance) P-C4' energy: -98.978
flat angles C4'-P-C4' energy: -113.708
flat angles P-C4'-P energy: -69.111
tors. eta vs tors. theta energy: -128.233
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: 138
Temperature: 1.050000
Total energy: -1640.455460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.455460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.455460 (E_RNA)
where:
Base-Base interactions energy: -1137.908
where: short stacking energy: -469.363
Base-Backbone interact. energy: -3.304
local terms energy: -499.244128
where:
bonds (distance) C4'-P energy: -105.308
bonds (distance) P-C4' energy: -106.904
flat angles C4'-P-C4' energy: -92.881
flat angles P-C4'-P energy: -68.627
tors. eta vs tors. theta energy: -125.524
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: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1553.172776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.172776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.172776 (E_RNA)
where:
Base-Base interactions energy: -1085.531
where: short stacking energy: -431.077
Base-Backbone interact. energy: -1.145
local terms energy: -466.497221
where:
bonds (distance) C4'-P energy: -89.754
bonds (distance) P-C4' energy: -92.267
flat angles C4'-P-C4' energy: -114.143
flat angles P-C4'-P energy: -58.511
tors. eta vs tors. theta energy: -111.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1451.415721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.415721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.415721 (E_RNA)
where:
Base-Base interactions energy: -1023.738
where: short stacking energy: -426.537
Base-Backbone interact. energy: -1.001
local terms energy: -426.676130
where:
bonds (distance) C4'-P energy: -73.473
bonds (distance) P-C4' energy: -89.253
flat angles C4'-P-C4' energy: -95.054
flat angles P-C4'-P energy: -65.679
tors. eta vs tors. theta energy: -103.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1371.570567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.570567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.570567 (E_RNA)
where:
Base-Base interactions energy: -932.792
where: short stacking energy: -389.069
Base-Backbone interact. energy: -3.527
local terms energy: -435.251496
where:
bonds (distance) C4'-P energy: -88.686
bonds (distance) P-C4' energy: -95.741
flat angles C4'-P-C4' energy: -103.759
flat angles P-C4'-P energy: -58.138
tors. eta vs tors. theta energy: -88.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1297.325535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.325535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.325535 (E_RNA)
where:
Base-Base interactions energy: -936.317
where: short stacking energy: -372.374
Base-Backbone interact. energy: -3.260
local terms energy: -357.748553
where:
bonds (distance) C4'-P energy: -71.884
bonds (distance) P-C4' energy: -60.966
flat angles C4'-P-C4' energy: -89.401
flat angles P-C4'-P energy: -56.460
tors. eta vs tors. theta energy: -79.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -982.426223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.426223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.426223 (E_RNA)
where:
Base-Base interactions energy: -643.181
where: short stacking energy: -284.593
Base-Backbone interact. energy: -2.191
local terms energy: -337.055095
where:
bonds (distance) C4'-P energy: -83.784
bonds (distance) P-C4' energy: -86.231
flat angles C4'-P-C4' energy: -72.035
flat angles P-C4'-P energy: -48.888
tors. eta vs tors. theta energy: -46.117
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: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -622.933225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.933225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.933225 (E_RNA)
where:
Base-Base interactions energy: -321.455
where: short stacking energy: -175.667
Base-Backbone interact. energy: -1.975
local terms energy: -299.502951
where:
bonds (distance) C4'-P energy: -70.960
bonds (distance) P-C4' energy: -84.410
flat angles C4'-P-C4' energy: -83.529
flat angles P-C4'-P energy: -52.585
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1857.433028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.433028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.433028 (E_RNA)
where:
Base-Base interactions energy: -1341.487
where: short stacking energy: -522.628
Base-Backbone interact. energy: -1.591
local terms energy: -514.354565
where:
bonds (distance) C4'-P energy: -94.667
bonds (distance) P-C4' energy: -93.723
flat angles C4'-P-C4' energy: -114.739
flat angles P-C4'-P energy: -69.568
tors. eta vs tors. theta energy: -141.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1768.393487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.393487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.393487 (E_RNA)
where:
Base-Base interactions energy: -1253.289
where: short stacking energy: -506.332
Base-Backbone interact. energy: 1.876
local terms energy: -516.980569
where:
bonds (distance) C4'-P energy: -100.285
bonds (distance) P-C4' energy: -101.618
flat angles C4'-P-C4' energy: -113.317
flat angles P-C4'-P energy: -62.824
tors. eta vs tors. theta energy: -138.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1728.527425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.527425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.527425 (E_RNA)
where:
Base-Base interactions energy: -1206.642
where: short stacking energy: -474.671
Base-Backbone interact. energy: -1.132
local terms energy: -520.752647
where:
bonds (distance) C4'-P energy: -102.160
bonds (distance) P-C4' energy: -104.640
flat angles C4'-P-C4' energy: -114.232
flat angles P-C4'-P energy: -73.807
tors. eta vs tors. theta energy: -125.913
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: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1640.196161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.196161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.196161 (E_RNA)
where:
Base-Base interactions energy: -1151.308
where: short stacking energy: -484.843
Base-Backbone interact. energy: 6.289
local terms energy: -495.178092
where:
bonds (distance) C4'-P energy: -103.170
bonds (distance) P-C4' energy: -91.692
flat angles C4'-P-C4' energy: -107.379
flat angles P-C4'-P energy: -64.517
tors. eta vs tors. theta energy: -128.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1596.934483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.934483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.934483 (E_RNA)
where:
Base-Base interactions energy: -1141.656
where: short stacking energy: -436.344
Base-Backbone interact. energy: 2.049
local terms energy: -457.326514
where:
bonds (distance) C4'-P energy: -90.780
bonds (distance) P-C4' energy: -86.151
flat angles C4'-P-C4' energy: -96.269
flat angles P-C4'-P energy: -72.557
tors. eta vs tors. theta energy: -111.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1439.659976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.659976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.659976 (E_RNA)
where:
Base-Base interactions energy: -984.259
where: short stacking energy: -422.776
Base-Backbone interact. energy: -0.931
local terms energy: -454.470502
where:
bonds (distance) C4'-P energy: -90.167
bonds (distance) P-C4' energy: -87.376
flat angles C4'-P-C4' energy: -99.375
flat angles P-C4'-P energy: -62.533
tors. eta vs tors. theta energy: -115.020
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: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1286.733677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.733677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.733677 (E_RNA)
where:
Base-Base interactions energy: -895.493
where: short stacking energy: -352.348
Base-Backbone interact. energy: -3.199
local terms energy: -388.042495
where:
bonds (distance) C4'-P energy: -85.299
bonds (distance) P-C4' energy: -84.478
flat angles C4'-P-C4' energy: -94.560
flat angles P-C4'-P energy: -60.821
tors. eta vs tors. theta energy: -62.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1211.763568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.763568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.763568 (E_RNA)
where:
Base-Base interactions energy: -848.498
where: short stacking energy: -348.471
Base-Backbone interact. energy: -3.475
local terms energy: -359.790985
where:
bonds (distance) C4'-P energy: -82.764
bonds (distance) P-C4' energy: -62.552
flat angles C4'-P-C4' energy: -96.063
flat angles P-C4'-P energy: -47.575
tors. eta vs tors. theta energy: -70.836
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: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1003.838719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.838719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.838719 (E_RNA)
where:
Base-Base interactions energy: -657.566
where: short stacking energy: -297.176
Base-Backbone interact. energy: -1.962
local terms energy: -344.310776
where:
bonds (distance) C4'-P energy: -89.496
bonds (distance) P-C4' energy: -87.362
flat angles C4'-P-C4' energy: -80.055
flat angles P-C4'-P energy: -34.669
tors. eta vs tors. theta energy: -52.729
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: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -587.861324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.861324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.861324 (E_RNA)
where:
Base-Base interactions energy: -304.035
where: short stacking energy: -171.228
Base-Backbone interact. energy: -0.229
local terms energy: -283.597661
where:
bonds (distance) C4'-P energy: -84.211
bonds (distance) P-C4' energy: -89.811
flat angles C4'-P-C4' energy: -71.545
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -4.677
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: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1870.494042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.494042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.494042 (E_RNA)
where:
Base-Base interactions energy: -1334.249
where: short stacking energy: -516.966
Base-Backbone interact. energy: -4.219
local terms energy: -532.026196
where:
bonds (distance) C4'-P energy: -93.049
bonds (distance) P-C4' energy: -96.964
flat angles C4'-P-C4' energy: -117.414
flat angles P-C4'-P energy: -79.432
tors. eta vs tors. theta energy: -145.167
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: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1770.014021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.014021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.014021 (E_RNA)
where:
Base-Base interactions energy: -1241.224
where: short stacking energy: -508.600
Base-Backbone interact. energy: 2.419
local terms energy: -531.209121
where:
bonds (distance) C4'-P energy: -90.437
bonds (distance) P-C4' energy: -104.499
flat angles C4'-P-C4' energy: -119.256
flat angles P-C4'-P energy: -75.483
tors. eta vs tors. theta energy: -141.535
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: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1717.870802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.870802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.870802 (E_RNA)
where:
Base-Base interactions energy: -1187.162
where: short stacking energy: -487.542
Base-Backbone interact. energy: -2.094
local terms energy: -528.614006
where:
bonds (distance) C4'-P energy: -100.523
bonds (distance) P-C4' energy: -105.269
flat angles C4'-P-C4' energy: -116.362
flat angles P-C4'-P energy: -71.785
tors. eta vs tors. theta energy: -134.675
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: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1637.112654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.112654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.112654 (E_RNA)
where:
Base-Base interactions energy: -1142.822
where: short stacking energy: -479.734
Base-Backbone interact. energy: -2.396
local terms energy: -491.895160
where:
bonds (distance) C4'-P energy: -77.790
bonds (distance) P-C4' energy: -96.949
flat angles C4'-P-C4' energy: -112.490
flat angles P-C4'-P energy: -76.940
tors. eta vs tors. theta energy: -127.726
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: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1563.817677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.817677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.817677 (E_RNA)
where:
Base-Base interactions energy: -1097.867
where: short stacking energy: -448.694
Base-Backbone interact. energy: -0.920
local terms energy: -465.030758
where:
bonds (distance) C4'-P energy: -85.312
bonds (distance) P-C4' energy: -85.610
flat angles C4'-P-C4' energy: -110.402
flat angles P-C4'-P energy: -65.937
tors. eta vs tors. theta energy: -117.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1500.134162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.134162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.134162 (E_RNA)
where:
Base-Base interactions energy: -1023.700
where: short stacking energy: -429.766
Base-Backbone interact. energy: 3.070
local terms energy: -479.504924
where:
bonds (distance) C4'-P energy: -95.727
bonds (distance) P-C4' energy: -102.694
flat angles C4'-P-C4' energy: -102.195
flat angles P-C4'-P energy: -66.923
tors. eta vs tors. theta energy: -111.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1357.766627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.766627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.766627 (E_RNA)
where:
Base-Base interactions energy: -938.779
where: short stacking energy: -370.361
Base-Backbone interact. energy: -1.972
local terms energy: -417.015758
where:
bonds (distance) C4'-P energy: -95.003
bonds (distance) P-C4' energy: -77.449
flat angles C4'-P-C4' energy: -94.161
flat angles P-C4'-P energy: -61.585
tors. eta vs tors. theta energy: -88.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1196.814967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.814967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.814967 (E_RNA)
where:
Base-Base interactions energy: -808.933
where: short stacking energy: -343.022
Base-Backbone interact. energy: -1.028
local terms energy: -386.853805
where:
bonds (distance) C4'-P energy: -64.640
bonds (distance) P-C4' energy: -89.129
flat angles C4'-P-C4' energy: -86.092
flat angles P-C4'-P energy: -65.794
tors. eta vs tors. theta energy: -81.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -979.688903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.688903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.688903 (E_RNA)
where:
Base-Base interactions energy: -639.074
where: short stacking energy: -299.977
Base-Backbone interact. energy: 5.736
local terms energy: -346.351358
where:
bonds (distance) C4'-P energy: -78.557
bonds (distance) P-C4' energy: -91.532
flat angles C4'-P-C4' energy: -80.259
flat angles P-C4'-P energy: -39.001
tors. eta vs tors. theta energy: -57.003
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -677.190804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.190804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.190804 (E_RNA)
where:
Base-Base interactions energy: -356.629
where: short stacking energy: -202.082
Base-Backbone interact. energy: 5.634
local terms energy: -326.196543
where:
bonds (distance) C4'-P energy: -85.406
bonds (distance) P-C4' energy: -90.521
flat angles C4'-P-C4' energy: -75.053
flat angles P-C4'-P energy: -51.044
tors. eta vs tors. theta energy: -24.173
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: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1873.879423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.879423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.879423 (E_RNA)
where:
Base-Base interactions energy: -1335.553
where: short stacking energy: -524.546
Base-Backbone interact. energy: -2.104
local terms energy: -536.222020
where:
bonds (distance) C4'-P energy: -101.300
bonds (distance) P-C4' energy: -100.616
flat angles C4'-P-C4' energy: -117.442
flat angles P-C4'-P energy: -81.395
tors. eta vs tors. theta energy: -135.468
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: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1778.168250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.168250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.168250 (E_RNA)
where:
Base-Base interactions energy: -1239.915
where: short stacking energy: -496.942
Base-Backbone interact. energy: -2.540
local terms energy: -535.713785
where:
bonds (distance) C4'-P energy: -108.400
bonds (distance) P-C4' energy: -98.921
flat angles C4'-P-C4' energy: -116.679
flat angles P-C4'-P energy: -66.901
tors. eta vs tors. theta energy: -144.813
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: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1708.717831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.717831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.717831 (E_RNA)
where:
Base-Base interactions energy: -1207.639
where: short stacking energy: -491.826
Base-Backbone interact. energy: -1.871
local terms energy: -499.207483
where:
bonds (distance) C4'-P energy: -96.112
bonds (distance) P-C4' energy: -88.575
flat angles C4'-P-C4' energy: -109.798
flat angles P-C4'-P energy: -74.402
tors. eta vs tors. theta energy: -130.321
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: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1666.799286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.799286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.799286 (E_RNA)
where:
Base-Base interactions energy: -1207.513
where: short stacking energy: -457.800
Base-Backbone interact. energy: -0.514
local terms energy: -458.771821
where:
bonds (distance) C4'-P energy: -85.157
bonds (distance) P-C4' energy: -69.220
flat angles C4'-P-C4' energy: -108.173
flat angles P-C4'-P energy: -66.246
tors. eta vs tors. theta energy: -129.977
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: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1604.575394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.575394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.575394 (E_RNA)
where:
Base-Base interactions energy: -1115.839
where: short stacking energy: -470.833
Base-Backbone interact. energy: -0.905
local terms energy: -487.831863
where:
bonds (distance) C4'-P energy: -90.979
bonds (distance) P-C4' energy: -94.224
flat angles C4'-P-C4' energy: -112.568
flat angles P-C4'-P energy: -60.284
tors. eta vs tors. theta energy: -129.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1525.087533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.087533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.087533 (E_RNA)
where:
Base-Base interactions energy: -1053.196
where: short stacking energy: -441.999
Base-Backbone interact. energy: -2.119
local terms energy: -469.772156
where:
bonds (distance) C4'-P energy: -69.681
bonds (distance) P-C4' energy: -94.966
flat angles C4'-P-C4' energy: -105.757
flat angles P-C4'-P energy: -68.029
tors. eta vs tors. theta energy: -131.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1351.829229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.829229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.829229 (E_RNA)
where:
Base-Base interactions energy: -943.761
where: short stacking energy: -397.116
Base-Backbone interact. energy: 4.207
local terms energy: -412.274665
where:
bonds (distance) C4'-P energy: -91.666
bonds (distance) P-C4' energy: -81.718
flat angles C4'-P-C4' energy: -87.996
flat angles P-C4'-P energy: -57.491
tors. eta vs tors. theta energy: -93.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1219.219827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.219827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.219827 (E_RNA)
where:
Base-Base interactions energy: -812.398
where: short stacking energy: -319.198
Base-Backbone interact. energy: 2.685
local terms energy: -409.506533
where:
bonds (distance) C4'-P energy: -87.797
bonds (distance) P-C4' energy: -90.542
flat angles C4'-P-C4' energy: -99.128
flat angles P-C4'-P energy: -61.565
tors. eta vs tors. theta energy: -70.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -948.742788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.742788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.742788 (E_RNA)
where:
Base-Base interactions energy: -612.325
where: short stacking energy: -278.233
Base-Backbone interact. energy: 0.946
local terms energy: -337.363712
where:
bonds (distance) C4'-P energy: -73.436
bonds (distance) P-C4' energy: -82.282
flat angles C4'-P-C4' energy: -79.939
flat angles P-C4'-P energy: -42.147
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: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -743.509309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.509309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.509309 (E_RNA)
where:
Base-Base interactions energy: -444.363
where: short stacking energy: -212.398
Base-Backbone interact. energy: 0.642
local terms energy: -299.788212
where:
bonds (distance) C4'-P energy: -75.517
bonds (distance) P-C4' energy: -78.573
flat angles C4'-P-C4' energy: -76.748
flat angles P-C4'-P energy: -50.806
tors. eta vs tors. theta energy: -18.144
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: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1875.485837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.485837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.485837 (E_RNA)
where:
Base-Base interactions energy: -1339.321
where: short stacking energy: -516.248
Base-Backbone interact. energy: -4.985
local terms energy: -531.180310
where:
bonds (distance) C4'-P energy: -98.684
bonds (distance) P-C4' energy: -109.874
flat angles C4'-P-C4' energy: -111.070
flat angles P-C4'-P energy: -72.160
tors. eta vs tors. theta energy: -139.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1791.900999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.900999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.900999 (E_RNA)
where:
Base-Base interactions energy: -1288.417
where: short stacking energy: -479.380
Base-Backbone interact. energy: -4.806
local terms energy: -498.678355
where:
bonds (distance) C4'-P energy: -98.065
bonds (distance) P-C4' energy: -82.115
flat angles C4'-P-C4' energy: -111.392
flat angles P-C4'-P energy: -71.211
tors. eta vs tors. theta energy: -135.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1727.503052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.503052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.503052 (E_RNA)
where:
Base-Base interactions energy: -1244.371
where: short stacking energy: -487.883
Base-Backbone interact. energy: -5.780
local terms energy: -477.351434
where:
bonds (distance) C4'-P energy: -82.824
bonds (distance) P-C4' energy: -75.567
flat angles C4'-P-C4' energy: -111.925
flat angles P-C4'-P energy: -72.175
tors. eta vs tors. theta energy: -134.860
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: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1653.752055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.752055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.752055 (E_RNA)
where:
Base-Base interactions energy: -1144.143
where: short stacking energy: -452.826
Base-Backbone interact. energy: -4.637
local terms energy: -504.971905
where:
bonds (distance) C4'-P energy: -101.895
bonds (distance) P-C4' energy: -102.580
flat angles C4'-P-C4' energy: -106.047
flat angles P-C4'-P energy: -74.604
tors. eta vs tors. theta energy: -119.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1582.060160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.060160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.060160 (E_RNA)
where:
Base-Base interactions energy: -1084.189
where: short stacking energy: -434.778
Base-Backbone interact. energy: -6.129
local terms energy: -491.742042
where:
bonds (distance) C4'-P energy: -90.786
bonds (distance) P-C4' energy: -102.325
flat angles C4'-P-C4' energy: -107.185
flat angles P-C4'-P energy: -75.752
tors. eta vs tors. theta energy: -115.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1515.821796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.821796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.821796 (E_RNA)
where:
Base-Base interactions energy: -1050.252
where: short stacking energy: -444.067
Base-Backbone interact. energy: -2.939
local terms energy: -462.630907
where:
bonds (distance) C4'-P energy: -88.863
bonds (distance) P-C4' energy: -87.881
flat angles C4'-P-C4' energy: -101.656
flat angles P-C4'-P energy: -63.220
tors. eta vs tors. theta energy: -121.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1429.326258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.326258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.326258 (E_RNA)
where:
Base-Base interactions energy: -1004.351
where: short stacking energy: -396.114
Base-Backbone interact. energy: 0.897
local terms energy: -425.872715
where:
bonds (distance) C4'-P energy: -90.685
bonds (distance) P-C4' energy: -90.623
flat angles C4'-P-C4' energy: -94.294
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -90.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1208.744827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.744827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.744827 (E_RNA)
where:
Base-Base interactions energy: -807.075
where: short stacking energy: -339.141
Base-Backbone interact. energy: -3.957
local terms energy: -397.713295
where:
bonds (distance) C4'-P energy: -82.717
bonds (distance) P-C4' energy: -96.885
flat angles C4'-P-C4' energy: -87.422
flat angles P-C4'-P energy: -60.278
tors. eta vs tors. theta energy: -70.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -986.426221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.426221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.426221 (E_RNA)
where:
Base-Base interactions energy: -611.283
where: short stacking energy: -270.926
Base-Backbone interact. energy: -0.898
local terms energy: -374.245205
where:
bonds (distance) C4'-P energy: -79.740
bonds (distance) P-C4' energy: -83.401
flat angles C4'-P-C4' energy: -94.054
flat angles P-C4'-P energy: -48.758
tors. eta vs tors. theta energy: -68.293
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: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -736.390170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.390170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.390170 (E_RNA)
where:
Base-Base interactions energy: -423.443
where: short stacking energy: -221.088
Base-Backbone interact. energy: -0.560
local terms energy: -312.388012
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -91.152
flat angles C4'-P-C4' energy: -73.630
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1862.802786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.802786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.802786 (E_RNA)
where:
Base-Base interactions energy: -1342.594
where: short stacking energy: -516.634
Base-Backbone interact. energy: -1.671
local terms energy: -518.537210
where:
bonds (distance) C4'-P energy: -95.050
bonds (distance) P-C4' energy: -103.829
flat angles C4'-P-C4' energy: -102.418
flat angles P-C4'-P energy: -73.481
tors. eta vs tors. theta energy: -143.760
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: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1798.221142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.221142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.221142 (E_RNA)
where:
Base-Base interactions energy: -1259.284
where: short stacking energy: -526.195
Base-Backbone interact. energy: -2.616
local terms energy: -536.320967
where:
bonds (distance) C4'-P energy: -85.000
bonds (distance) P-C4' energy: -108.868
flat angles C4'-P-C4' energy: -115.479
flat angles P-C4'-P energy: -78.788
tors. eta vs tors. theta energy: -148.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1732.784687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.784687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.784687 (E_RNA)
where:
Base-Base interactions energy: -1222.280
where: short stacking energy: -502.227
Base-Backbone interact. energy: -1.423
local terms energy: -509.081892
where:
bonds (distance) C4'-P energy: -92.647
bonds (distance) P-C4' energy: -92.112
flat angles C4'-P-C4' energy: -115.783
flat angles P-C4'-P energy: -75.533
tors. eta vs tors. theta energy: -133.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1693.060808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.060808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.060808 (E_RNA)
where:
Base-Base interactions energy: -1201.970
where: short stacking energy: -496.007
Base-Backbone interact. energy: 0.344
local terms energy: -491.435345
where:
bonds (distance) C4'-P energy: -96.830
bonds (distance) P-C4' energy: -88.876
flat angles C4'-P-C4' energy: -109.561
flat angles P-C4'-P energy: -71.457
tors. eta vs tors. theta energy: -124.712
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: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1539.440630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.440630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.440630 (E_RNA)
where:
Base-Base interactions energy: -1080.630
where: short stacking energy: -427.733
Base-Backbone interact. energy: -2.810
local terms energy: -456.000752
where:
bonds (distance) C4'-P energy: -81.964
bonds (distance) P-C4' energy: -81.390
flat angles C4'-P-C4' energy: -109.870
flat angles P-C4'-P energy: -60.415
tors. eta vs tors. theta energy: -122.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1450.161284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.161284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.161284 (E_RNA)
where:
Base-Base interactions energy: -986.177
where: short stacking energy: -406.132
Base-Backbone interact. energy: -2.528
local terms energy: -461.456511
where:
bonds (distance) C4'-P energy: -86.787
bonds (distance) P-C4' energy: -104.591
flat angles C4'-P-C4' energy: -105.472
flat angles P-C4'-P energy: -60.827
tors. eta vs tors. theta energy: -103.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1415.328231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.328231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.328231 (E_RNA)
where:
Base-Base interactions energy: -1024.109
where: short stacking energy: -420.824
Base-Backbone interact. energy: -0.419
local terms energy: -390.799967
where:
bonds (distance) C4'-P energy: -67.073
bonds (distance) P-C4' energy: -67.925
flat angles C4'-P-C4' energy: -90.449
flat angles P-C4'-P energy: -63.225
tors. eta vs tors. theta energy: -102.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1209.843372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.843372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.843372 (E_RNA)
where:
Base-Base interactions energy: -834.104
where: short stacking energy: -343.508
Base-Backbone interact. energy: 2.021
local terms energy: -377.760960
where:
bonds (distance) C4'-P energy: -86.351
bonds (distance) P-C4' energy: -82.293
flat angles C4'-P-C4' energy: -91.438
flat angles P-C4'-P energy: -41.854
tors. eta vs tors. theta energy: -75.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -957.030791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.030791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.030791 (E_RNA)
where:
Base-Base interactions energy: -602.827
where: short stacking energy: -290.212
Base-Backbone interact. energy: -2.107
local terms energy: -352.096535
where:
bonds (distance) C4'-P energy: -91.734
bonds (distance) P-C4' energy: -79.595
flat angles C4'-P-C4' energy: -82.865
flat angles P-C4'-P energy: -43.756
tors. eta vs tors. theta energy: -54.147
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: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -720.657274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.657274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.657274 (E_RNA)
where:
Base-Base interactions energy: -422.740
where: short stacking energy: -183.740
Base-Backbone interact. energy: 0.383
local terms energy: -298.300151
where:
bonds (distance) C4'-P energy: -90.218
bonds (distance) P-C4' energy: -76.761
flat angles C4'-P-C4' energy: -68.921
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: -22.135
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: 144
Temperature: 0.900000
Total energy: -1879.398010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.398010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.398010 (E_RNA)
where:
Base-Base interactions energy: -1331.517
where: short stacking energy: -526.497
Base-Backbone interact. energy: -0.619
local terms energy: -547.261555
where:
bonds (distance) C4'-P energy: -115.998
bonds (distance) P-C4' energy: -107.371
flat angles C4'-P-C4' energy: -107.786
flat angles P-C4'-P energy: -73.161
tors. eta vs tors. theta energy: -142.946
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: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1801.526079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.526079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.526079 (E_RNA)
where:
Base-Base interactions energy: -1252.096
where: short stacking energy: -535.476
Base-Backbone interact. energy: -4.224
local terms energy: -545.206745
where:
bonds (distance) C4'-P energy: -90.371
bonds (distance) P-C4' energy: -92.734
flat angles C4'-P-C4' energy: -122.997
flat angles P-C4'-P energy: -88.445
tors. eta vs tors. theta energy: -150.660
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: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1730.131776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.131776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.131776 (E_RNA)
where:
Base-Base interactions energy: -1213.220
where: short stacking energy: -491.427
Base-Backbone interact. energy: -1.483
local terms energy: -515.429039
where:
bonds (distance) C4'-P energy: -92.986
bonds (distance) P-C4' energy: -111.301
flat angles C4'-P-C4' energy: -102.333
flat angles P-C4'-P energy: -71.695
tors. eta vs tors. theta energy: -137.115
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: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1647.437533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.437533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.437533 (E_RNA)
where:
Base-Base interactions energy: -1165.988
where: short stacking energy: -474.327
Base-Backbone interact. energy: -1.280
local terms energy: -480.170063
where:
bonds (distance) C4'-P energy: -81.342
bonds (distance) P-C4' energy: -99.942
flat angles C4'-P-C4' energy: -103.201
flat angles P-C4'-P energy: -76.684
tors. eta vs tors. theta energy: -119.001
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: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1553.353203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.353203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.353203 (E_RNA)
where:
Base-Base interactions energy: -1081.155
where: short stacking energy: -447.460
Base-Backbone interact. energy: 5.503
local terms energy: -477.701258
where:
bonds (distance) C4'-P energy: -89.852
bonds (distance) P-C4' energy: -96.088
flat angles C4'-P-C4' energy: -97.154
flat angles P-C4'-P energy: -74.303
tors. eta vs tors. theta energy: -120.305
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: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1457.773511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.773511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.773511 (E_RNA)
where:
Base-Base interactions energy: -1028.307
where: short stacking energy: -406.427
Base-Backbone interact. energy: -0.495
local terms energy: -428.970832
where:
bonds (distance) C4'-P energy: -78.226
bonds (distance) P-C4' energy: -84.293
flat angles C4'-P-C4' energy: -97.617
flat angles P-C4'-P energy: -63.043
tors. eta vs tors. theta energy: -105.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1422.555430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.555430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.555430 (E_RNA)
where:
Base-Base interactions energy: -1011.267
where: short stacking energy: -387.350
Base-Backbone interact. energy: -1.104
local terms energy: -410.184229
where:
bonds (distance) C4'-P energy: -84.677
bonds (distance) P-C4' energy: -76.586
flat angles C4'-P-C4' energy: -92.194
flat angles P-C4'-P energy: -63.237
tors. eta vs tors. theta energy: -93.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1202.315516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.315516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.315516 (E_RNA)
where:
Base-Base interactions energy: -801.722
where: short stacking energy: -350.683
Base-Backbone interact. energy: -4.434
local terms energy: -396.159053
where:
bonds (distance) C4'-P energy: -71.566
bonds (distance) P-C4' energy: -100.472
flat angles C4'-P-C4' energy: -91.636
flat angles P-C4'-P energy: -56.650
tors. eta vs tors. theta energy: -75.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -955.620860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.620860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.620860 (E_RNA)
where:
Base-Base interactions energy: -620.918
where: short stacking energy: -282.509
Base-Backbone interact. energy: 2.533
local terms energy: -337.235702
where:
bonds (distance) C4'-P energy: -79.747
bonds (distance) P-C4' energy: -69.956
flat angles C4'-P-C4' energy: -74.881
flat angles P-C4'-P energy: -54.050
tors. eta vs tors. theta energy: -58.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -738.485827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.485827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.485827 (E_RNA)
where:
Base-Base interactions energy: -432.945
where: short stacking energy: -218.873
Base-Backbone interact. energy: 1.040
local terms energy: -306.580585
where:
bonds (distance) C4'-P energy: -67.014
bonds (distance) P-C4' energy: -80.062
flat angles C4'-P-C4' energy: -76.821
flat angles P-C4'-P energy: -47.999
tors. eta vs tors. theta energy: -34.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1872.203060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.203060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.203060 (E_RNA)
where:
Base-Base interactions energy: -1336.536
where: short stacking energy: -520.620
Base-Backbone interact. energy: -5.496
local terms energy: -530.171118
where:
bonds (distance) C4'-P energy: -95.559
bonds (distance) P-C4' energy: -93.411
flat angles C4'-P-C4' energy: -111.601
flat angles P-C4'-P energy: -82.073
tors. eta vs tors. theta energy: -147.529
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: 145
Temperature: 0.950000
Total energy: -1763.635510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.635510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.635510 (E_RNA)
where:
Base-Base interactions energy: -1227.285
where: short stacking energy: -492.019
Base-Backbone interact. energy: -3.795
local terms energy: -532.555908
where:
bonds (distance) C4'-P energy: -87.198
bonds (distance) P-C4' energy: -112.969
flat angles C4'-P-C4' energy: -112.689
flat angles P-C4'-P energy: -80.096
tors. eta vs tors. theta energy: -139.603
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: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1766.941252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.941252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.941252 (E_RNA)
where:
Base-Base interactions energy: -1227.118
where: short stacking energy: -505.606
Base-Backbone interact. energy: -1.258
local terms energy: -538.565323
where:
bonds (distance) C4'-P energy: -87.668
bonds (distance) P-C4' energy: -103.155
flat angles C4'-P-C4' energy: -123.207
flat angles P-C4'-P energy: -78.629
tors. eta vs tors. theta energy: -145.906
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: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1651.179321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.179321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.179321 (E_RNA)
where:
Base-Base interactions energy: -1163.069
where: short stacking energy: -477.783
Base-Backbone interact. energy: -1.693
local terms energy: -486.417406
where:
bonds (distance) C4'-P energy: -98.914
bonds (distance) P-C4' energy: -94.816
flat angles C4'-P-C4' energy: -100.190
flat angles P-C4'-P energy: -66.494
tors. eta vs tors. theta energy: -126.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1555.509111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.509111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.509111 (E_RNA)
where:
Base-Base interactions energy: -1090.417
where: short stacking energy: -441.841
Base-Backbone interact. energy: 3.405
local terms energy: -468.497335
where:
bonds (distance) C4'-P energy: -88.879
bonds (distance) P-C4' energy: -92.551
flat angles C4'-P-C4' energy: -102.786
flat angles P-C4'-P energy: -70.108
tors. eta vs tors. theta energy: -114.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1470.097827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.097827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.097827 (E_RNA)
where:
Base-Base interactions energy: -1012.305
where: short stacking energy: -440.288
Base-Backbone interact. energy: 0.137
local terms energy: -457.929559
where:
bonds (distance) C4'-P energy: -82.176
bonds (distance) P-C4' energy: -107.157
flat angles C4'-P-C4' energy: -98.328
flat angles P-C4'-P energy: -64.601
tors. eta vs tors. theta energy: -105.667
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: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1452.275512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.275512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.275512 (E_RNA)
where:
Base-Base interactions energy: -1016.965
where: short stacking energy: -432.523
Base-Backbone interact. energy: -0.847
local terms energy: -434.462888
where:
bonds (distance) C4'-P energy: -85.938
bonds (distance) P-C4' energy: -76.433
flat angles C4'-P-C4' energy: -104.154
flat angles P-C4'-P energy: -60.743
tors. eta vs tors. theta energy: -107.194
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: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1212.988680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.988680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.988680 (E_RNA)
where:
Base-Base interactions energy: -812.731
where: short stacking energy: -363.986
Base-Backbone interact. energy: -1.366
local terms energy: -398.892398
where:
bonds (distance) C4'-P energy: -87.057
bonds (distance) P-C4' energy: -88.507
flat angles C4'-P-C4' energy: -81.922
flat angles P-C4'-P energy: -56.917
tors. eta vs tors. theta energy: -84.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -955.953622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.953622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.953622 (E_RNA)
where:
Base-Base interactions energy: -609.481
where: short stacking energy: -282.653
Base-Backbone interact. energy: 1.205
local terms energy: -347.677531
where:
bonds (distance) C4'-P energy: -86.149
bonds (distance) P-C4' energy: -73.971
flat angles C4'-P-C4' energy: -95.595
flat angles P-C4'-P energy: -42.379
tors. eta vs tors. theta energy: -49.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -714.291430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.291430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.291430 (E_RNA)
where:
Base-Base interactions energy: -392.862
where: short stacking energy: -202.815
Base-Backbone interact. energy: -3.127
local terms energy: -318.302226
where:
bonds (distance) C4'-P energy: -88.020
bonds (distance) P-C4' energy: -89.480
flat angles C4'-P-C4' energy: -78.683
flat angles P-C4'-P energy: -40.498
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1864.556465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.556465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.556465 (E_RNA)
where:
Base-Base interactions energy: -1326.954
where: short stacking energy: -527.816
Base-Backbone interact. energy: 0.015
local terms energy: -537.617807
where:
bonds (distance) C4'-P energy: -101.801
bonds (distance) P-C4' energy: -108.854
flat angles C4'-P-C4' energy: -114.180
flat angles P-C4'-P energy: -70.012
tors. eta vs tors. theta energy: -142.772
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: 146
Temperature: 0.950000
Total energy: -1770.020669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.020669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.020669 (E_RNA)
where:
Base-Base interactions energy: -1246.955
where: short stacking energy: -513.332
Base-Backbone interact. energy: -5.474
local terms energy: -517.591957
where:
bonds (distance) C4'-P energy: -99.992
bonds (distance) P-C4' energy: -95.722
flat angles C4'-P-C4' energy: -111.213
flat angles P-C4'-P energy: -75.262
tors. eta vs tors. theta energy: -135.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1764.407411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.407411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.407411 (E_RNA)
where:
Base-Base interactions energy: -1235.063
where: short stacking energy: -499.379
Base-Backbone interact. energy: 0.326
local terms energy: -529.670397
where:
bonds (distance) C4'-P energy: -102.812
bonds (distance) P-C4' energy: -97.124
flat angles C4'-P-C4' energy: -116.784
flat angles P-C4'-P energy: -73.312
tors. eta vs tors. theta energy: -139.638
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: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1656.692906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.692906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.692906 (E_RNA)
where:
Base-Base interactions energy: -1149.301
where: short stacking energy: -482.369
Base-Backbone interact. energy: -2.267
local terms energy: -505.124816
where:
bonds (distance) C4'-P energy: -89.035
bonds (distance) P-C4' energy: -98.676
flat angles C4'-P-C4' energy: -109.926
flat angles P-C4'-P energy: -77.019
tors. eta vs tors. theta energy: -130.469
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: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1555.254744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.254744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.254744 (E_RNA)
where:
Base-Base interactions energy: -1065.481
where: short stacking energy: -407.491
Base-Backbone interact. energy: 0.223
local terms energy: -489.997112
where:
bonds (distance) C4'-P energy: -97.941
bonds (distance) P-C4' energy: -102.060
flat angles C4'-P-C4' energy: -112.576
flat angles P-C4'-P energy: -68.690
tors. eta vs tors. theta energy: -108.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1450.197021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.197021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.197021 (E_RNA)
where:
Base-Base interactions energy: -1026.675
where: short stacking energy: -434.054
Base-Backbone interact. energy: 4.286
local terms energy: -427.807095
where:
bonds (distance) C4'-P energy: -78.614
bonds (distance) P-C4' energy: -87.731
flat angles C4'-P-C4' energy: -102.187
flat angles P-C4'-P energy: -54.426
tors. eta vs tors. theta energy: -104.850
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: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1443.019345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.019345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.019345 (E_RNA)
where:
Base-Base interactions energy: -1013.645
where: short stacking energy: -433.851
Base-Backbone interact. energy: 0.185
local terms energy: -429.558835
where:
bonds (distance) C4'-P energy: -80.992
bonds (distance) P-C4' energy: -84.348
flat angles C4'-P-C4' energy: -102.536
flat angles P-C4'-P energy: -64.105
tors. eta vs tors. theta energy: -97.578
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: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1207.262461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.262461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.262461 (E_RNA)
where:
Base-Base interactions energy: -798.999
where: short stacking energy: -359.154
Base-Backbone interact. energy: -2.824
local terms energy: -405.439435
where:
bonds (distance) C4'-P energy: -72.513
bonds (distance) P-C4' energy: -92.791
flat angles C4'-P-C4' energy: -96.451
flat angles P-C4'-P energy: -52.812
tors. eta vs tors. theta energy: -90.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -948.971632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.971632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.971632 (E_RNA)
where:
Base-Base interactions energy: -597.489
where: short stacking energy: -251.271
Base-Backbone interact. energy: 7.769
local terms energy: -359.251674
where:
bonds (distance) C4'-P energy: -73.666
bonds (distance) P-C4' energy: -91.194
flat angles C4'-P-C4' energy: -95.020
flat angles P-C4'-P energy: -50.606
tors. eta vs tors. theta energy: -48.766
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: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -717.165736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.165736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.165736 (E_RNA)
where:
Base-Base interactions energy: -437.736
where: short stacking energy: -193.774
Base-Backbone interact. energy: -0.347
local terms energy: -279.083050
where:
bonds (distance) C4'-P energy: -77.390
bonds (distance) P-C4' energy: -80.938
flat angles C4'-P-C4' energy: -75.015
flat angles P-C4'-P energy: -44.368
tors. eta vs tors. theta energy: -1.372
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: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1857.434352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.434352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.434352 (E_RNA)
where:
Base-Base interactions energy: -1320.797
where: short stacking energy: -506.898
Base-Backbone interact. energy: -5.210
local terms energy: -531.426786
where:
bonds (distance) C4'-P energy: -96.916
bonds (distance) P-C4' energy: -107.483
flat angles C4'-P-C4' energy: -113.441
flat angles P-C4'-P energy: -77.663
tors. eta vs tors. theta energy: -135.924
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: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1766.710442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.710442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.710442 (E_RNA)
where:
Base-Base interactions energy: -1228.640
where: short stacking energy: -492.895
Base-Backbone interact. energy: -7.145
local terms energy: -530.925256
where:
bonds (distance) C4'-P energy: -91.984
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -115.186
flat angles P-C4'-P energy: -84.544
tors. eta vs tors. theta energy: -133.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1762.067599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.067599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.067599 (E_RNA)
where:
Base-Base interactions energy: -1237.943
where: short stacking energy: -499.633
Base-Backbone interact. energy: 4.332
local terms energy: -528.456973
where:
bonds (distance) C4'-P energy: -87.144
bonds (distance) P-C4' energy: -113.063
flat angles C4'-P-C4' energy: -111.103
flat angles P-C4'-P energy: -68.758
tors. eta vs tors. theta energy: -148.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1621.383358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.383358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.383358 (E_RNA)
where:
Base-Base interactions energy: -1122.244
where: short stacking energy: -452.221
Base-Backbone interact. energy: -4.068
local terms energy: -495.071315
where:
bonds (distance) C4'-P energy: -78.790
bonds (distance) P-C4' energy: -103.928
flat angles C4'-P-C4' energy: -112.674
flat angles P-C4'-P energy: -70.174
tors. eta vs tors. theta energy: -129.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1604.501380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.501380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.501380 (E_RNA)
where:
Base-Base interactions energy: -1127.946
where: short stacking energy: -452.148
Base-Backbone interact. energy: 2.372
local terms energy: -478.927643
where:
bonds (distance) C4'-P energy: -93.688
bonds (distance) P-C4' energy: -91.152
flat angles C4'-P-C4' energy: -107.580
flat angles P-C4'-P energy: -65.208
tors. eta vs tors. theta energy: -121.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1434.843696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.843696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.843696 (E_RNA)
where:
Base-Base interactions energy: -993.092
where: short stacking energy: -419.412
Base-Backbone interact. energy: -3.732
local terms energy: -438.020085
where:
bonds (distance) C4'-P energy: -75.164
bonds (distance) P-C4' energy: -89.903
flat angles C4'-P-C4' energy: -104.620
flat angles P-C4'-P energy: -64.412
tors. eta vs tors. theta energy: -103.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1430.385058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.385058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.385058 (E_RNA)
where:
Base-Base interactions energy: -1006.783
where: short stacking energy: -401.378
Base-Backbone interact. energy: 3.132
local terms energy: -426.734011
where:
bonds (distance) C4'-P energy: -81.875
bonds (distance) P-C4' energy: -86.034
flat angles C4'-P-C4' energy: -107.015
flat angles P-C4'-P energy: -47.399
tors. eta vs tors. theta energy: -104.412
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: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1215.212291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.212291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.212291 (E_RNA)
where:
Base-Base interactions energy: -805.108
where: short stacking energy: -364.442
Base-Backbone interact. energy: -1.047
local terms energy: -409.056793
where:
bonds (distance) C4'-P energy: -80.491
bonds (distance) P-C4' energy: -85.974
flat angles C4'-P-C4' energy: -101.283
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -93.833
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: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -912.454387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.454387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.454387 (E_RNA)
where:
Base-Base interactions energy: -584.295
where: short stacking energy: -275.737
Base-Backbone interact. energy: -2.552
local terms energy: -325.607443
where:
bonds (distance) C4'-P energy: -68.472
bonds (distance) P-C4' energy: -80.327
flat angles C4'-P-C4' energy: -88.569
flat angles P-C4'-P energy: -52.966
tors. eta vs tors. theta energy: -35.273
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: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -658.184628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.184628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.184628 (E_RNA)
where:
Base-Base interactions energy: -394.219
where: short stacking energy: -170.362
Base-Backbone interact. energy: 2.182
local terms energy: -266.147407
where:
bonds (distance) C4'-P energy: -61.716
bonds (distance) P-C4' energy: -77.448
flat angles C4'-P-C4' energy: -68.533
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1858.433054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.433054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.433054 (E_RNA)
where:
Base-Base interactions energy: -1321.978
where: short stacking energy: -527.597
Base-Backbone interact. energy: -0.628
local terms energy: -535.826942
where:
bonds (distance) C4'-P energy: -101.394
bonds (distance) P-C4' energy: -99.433
flat angles C4'-P-C4' energy: -114.298
flat angles P-C4'-P energy: -80.284
tors. eta vs tors. theta energy: -140.417
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: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1768.885475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.885475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.885475 (E_RNA)
where:
Base-Base interactions energy: -1260.537
where: short stacking energy: -496.582
Base-Backbone interact. energy: 6.212
local terms energy: -514.561023
where:
bonds (distance) C4'-P energy: -94.216
bonds (distance) P-C4' energy: -96.160
flat angles C4'-P-C4' energy: -112.348
flat angles P-C4'-P energy: -78.407
tors. eta vs tors. theta energy: -133.430
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: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1774.397177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.397177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.397177 (E_RNA)
where:
Base-Base interactions energy: -1267.309
where: short stacking energy: -516.506
Base-Backbone interact. energy: 1.919
local terms energy: -509.007219
where:
bonds (distance) C4'-P energy: -87.453
bonds (distance) P-C4' energy: -101.000
flat angles C4'-P-C4' energy: -107.310
flat angles P-C4'-P energy: -73.791
tors. eta vs tors. theta energy: -139.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1656.246934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.246934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.246934 (E_RNA)
where:
Base-Base interactions energy: -1157.118
where: short stacking energy: -451.932
Base-Backbone interact. energy: -1.296
local terms energy: -497.832830
where:
bonds (distance) C4'-P energy: -115.029
bonds (distance) P-C4' energy: -89.278
flat angles C4'-P-C4' energy: -111.170
flat angles P-C4'-P energy: -61.162
tors. eta vs tors. theta energy: -121.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1577.138093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.138093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.138093 (E_RNA)
where:
Base-Base interactions energy: -1104.217
where: short stacking energy: -434.832
Base-Backbone interact. energy: 0.443
local terms energy: -473.363469
where:
bonds (distance) C4'-P energy: -83.070
bonds (distance) P-C4' energy: -99.389
flat angles C4'-P-C4' energy: -111.783
flat angles P-C4'-P energy: -61.702
tors. eta vs tors. theta energy: -117.419
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: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1485.748469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.748469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.748469 (E_RNA)
where:
Base-Base interactions energy: -1035.154
where: short stacking energy: -440.315
Base-Backbone interact. energy: -1.638
local terms energy: -448.957058
where:
bonds (distance) C4'-P energy: -74.973
bonds (distance) P-C4' energy: -98.638
flat angles C4'-P-C4' energy: -111.852
flat angles P-C4'-P energy: -62.412
tors. eta vs tors. theta energy: -101.081
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: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1426.661105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.661105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.661105 (E_RNA)
where:
Base-Base interactions energy: -1001.339
where: short stacking energy: -428.258
Base-Backbone interact. energy: -0.260
local terms energy: -425.062478
where:
bonds (distance) C4'-P energy: -78.341
bonds (distance) P-C4' energy: -82.724
flat angles C4'-P-C4' energy: -101.187
flat angles P-C4'-P energy: -61.031
tors. eta vs tors. theta energy: -101.780
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: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1218.616365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.616365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.616365 (E_RNA)
where:
Base-Base interactions energy: -812.555
where: short stacking energy: -331.925
Base-Backbone interact. energy: -2.334
local terms energy: -403.727212
where:
bonds (distance) C4'-P energy: -90.517
bonds (distance) P-C4' energy: -92.673
flat angles C4'-P-C4' energy: -84.678
flat angles P-C4'-P energy: -50.008
tors. eta vs tors. theta energy: -85.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -960.119714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.119714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.119714 (E_RNA)
where:
Base-Base interactions energy: -638.977
where: short stacking energy: -273.999
Base-Backbone interact. energy: 3.457
local terms energy: -324.599862
where:
bonds (distance) C4'-P energy: -77.081
bonds (distance) P-C4' energy: -76.574
flat angles C4'-P-C4' energy: -79.260
flat angles P-C4'-P energy: -43.098
tors. eta vs tors. theta energy: -48.587
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: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -622.118132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.118132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.118132 (E_RNA)
where:
Base-Base interactions energy: -360.796
where: short stacking energy: -196.837
Base-Backbone interact. energy: 2.321
local terms energy: -263.643252
where:
bonds (distance) C4'-P energy: -70.296
bonds (distance) P-C4' energy: -84.694
flat angles C4'-P-C4' energy: -69.007
flat angles P-C4'-P energy: -32.820
tors. eta vs tors. theta energy: -6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1897.971229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.971229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.971229 (E_RNA)
where:
Base-Base interactions energy: -1362.023
where: short stacking energy: -524.850
Base-Backbone interact. energy: -3.912
local terms energy: -532.036093
where:
bonds (distance) C4'-P energy: -87.090
bonds (distance) P-C4' energy: -112.197
flat angles C4'-P-C4' energy: -118.257
flat angles P-C4'-P energy: -77.945
tors. eta vs tors. theta energy: -136.547
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: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1749.815861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.815861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.815861 (E_RNA)
where:
Base-Base interactions energy: -1226.666
where: short stacking energy: -470.455
Base-Backbone interact. energy: -5.025
local terms energy: -518.124926
where:
bonds (distance) C4'-P energy: -104.510
bonds (distance) P-C4' energy: -97.069
flat angles C4'-P-C4' energy: -111.740
flat angles P-C4'-P energy: -80.500
tors. eta vs tors. theta energy: -124.306
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: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1787.821806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.821806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.821806 (E_RNA)
where:
Base-Base interactions energy: -1276.405
where: short stacking energy: -528.379
Base-Backbone interact. energy: 4.690
local terms energy: -516.106841
where:
bonds (distance) C4'-P energy: -91.827
bonds (distance) P-C4' energy: -89.657
flat angles C4'-P-C4' energy: -110.214
flat angles P-C4'-P energy: -77.315
tors. eta vs tors. theta energy: -147.093
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: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1657.952754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.952754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.952754 (E_RNA)
where:
Base-Base interactions energy: -1160.318
where: short stacking energy: -465.551
Base-Backbone interact. energy: -2.894
local terms energy: -494.741208
where:
bonds (distance) C4'-P energy: -101.600
bonds (distance) P-C4' energy: -98.367
flat angles C4'-P-C4' energy: -104.646
flat angles P-C4'-P energy: -62.331
tors. eta vs tors. theta energy: -127.797
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: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1618.410729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.410729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.410729 (E_RNA)
where:
Base-Base interactions energy: -1114.290
where: short stacking energy: -451.653
Base-Backbone interact. energy: 0.512
local terms energy: -504.633171
where:
bonds (distance) C4'-P energy: -96.641
bonds (distance) P-C4' energy: -99.207
flat angles C4'-P-C4' energy: -112.418
flat angles P-C4'-P energy: -72.075
tors. eta vs tors. theta energy: -124.291
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: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1486.106846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.106846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.106846 (E_RNA)
where:
Base-Base interactions energy: -1001.846
where: short stacking energy: -414.168
Base-Backbone interact. energy: -2.051
local terms energy: -482.209270
where:
bonds (distance) C4'-P energy: -94.264
bonds (distance) P-C4' energy: -94.262
flat angles C4'-P-C4' energy: -109.200
flat angles P-C4'-P energy: -72.183
tors. eta vs tors. theta energy: -112.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1435.808596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.808596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.808596 (E_RNA)
where:
Base-Base interactions energy: -1005.045
where: short stacking energy: -405.118
Base-Backbone interact. energy: -2.770
local terms energy: -427.993042
where:
bonds (distance) C4'-P energy: -65.860
bonds (distance) P-C4' energy: -91.794
flat angles C4'-P-C4' energy: -105.147
flat angles P-C4'-P energy: -59.888
tors. eta vs tors. theta energy: -105.303
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: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1250.753798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.753798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.753798 (E_RNA)
where:
Base-Base interactions energy: -845.782
where: short stacking energy: -347.486
Base-Backbone interact. energy: -0.484
local terms energy: -404.487502
where:
bonds (distance) C4'-P energy: -83.830
bonds (distance) P-C4' energy: -79.794
flat angles C4'-P-C4' energy: -85.387
flat angles P-C4'-P energy: -66.126
tors. eta vs tors. theta energy: -89.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -935.526809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.526809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.526809 (E_RNA)
where:
Base-Base interactions energy: -605.546
where: short stacking energy: -281.556
Base-Backbone interact. energy: 1.821
local terms energy: -331.801813
where:
bonds (distance) C4'-P energy: -93.566
bonds (distance) P-C4' energy: -86.844
flat angles C4'-P-C4' energy: -81.354
flat angles P-C4'-P energy: -35.501
tors. eta vs tors. theta energy: -34.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -630.856439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.856439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.856439 (E_RNA)
where:
Base-Base interactions energy: -364.221
where: short stacking energy: -193.355
Base-Backbone interact. energy: -0.831
local terms energy: -265.804541
where:
bonds (distance) C4'-P energy: -82.227
bonds (distance) P-C4' energy: -72.277
flat angles C4'-P-C4' energy: -61.288
flat angles P-C4'-P energy: -47.199
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1857.064648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.064648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.064648 (E_RNA)
where:
Base-Base interactions energy: -1341.356
where: short stacking energy: -514.405
Base-Backbone interact. energy: -3.431
local terms energy: -512.278583
where:
bonds (distance) C4'-P energy: -101.953
bonds (distance) P-C4' energy: -99.055
flat angles C4'-P-C4' energy: -110.342
flat angles P-C4'-P energy: -65.070
tors. eta vs tors. theta energy: -135.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1785.559597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.559597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.559597 (E_RNA)
where:
Base-Base interactions energy: -1274.590
where: short stacking energy: -516.647
Base-Backbone interact. energy: -1.770
local terms energy: -509.199332
where:
bonds (distance) C4'-P energy: -97.789
bonds (distance) P-C4' energy: -89.571
flat angles C4'-P-C4' energy: -111.401
flat angles P-C4'-P energy: -72.986
tors. eta vs tors. theta energy: -137.452
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: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1791.313654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.313654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.313654 (E_RNA)
where:
Base-Base interactions energy: -1260.587
where: short stacking energy: -516.462
Base-Backbone interact. energy: -1.196
local terms energy: -529.529978
where:
bonds (distance) C4'-P energy: -92.603
bonds (distance) P-C4' energy: -104.030
flat angles C4'-P-C4' energy: -114.504
flat angles P-C4'-P energy: -72.992
tors. eta vs tors. theta energy: -145.401
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: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1675.663787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.663787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.663787 (E_RNA)
where:
Base-Base interactions energy: -1163.147
where: short stacking energy: -485.332
Base-Backbone interact. energy: -4.145
local terms energy: -508.372185
where:
bonds (distance) C4'-P energy: -96.631
bonds (distance) P-C4' energy: -100.243
flat angles C4'-P-C4' energy: -117.611
flat angles P-C4'-P energy: -65.087
tors. eta vs tors. theta energy: -128.799
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: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1622.933555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.933555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.933555 (E_RNA)
where:
Base-Base interactions energy: -1122.795
where: short stacking energy: -460.614
Base-Backbone interact. energy: 2.532
local terms energy: -502.670342
where:
bonds (distance) C4'-P energy: -85.620
bonds (distance) P-C4' energy: -97.537
flat angles C4'-P-C4' energy: -106.708
flat angles P-C4'-P energy: -79.263
tors. eta vs tors. theta energy: -133.542
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: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1486.807590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.807590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.807590 (E_RNA)
where:
Base-Base interactions energy: -1049.957
where: short stacking energy: -443.469
Base-Backbone interact. energy: -3.163
local terms energy: -433.688445
where:
bonds (distance) C4'-P energy: -79.385
bonds (distance) P-C4' energy: -80.674
flat angles C4'-P-C4' energy: -100.970
flat angles P-C4'-P energy: -64.643
tors. eta vs tors. theta energy: -108.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1464.258860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.258860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.258860 (E_RNA)
where:
Base-Base interactions energy: -1044.258
where: short stacking energy: -441.140
Base-Backbone interact. energy: -3.559
local terms energy: -416.442238
where:
bonds (distance) C4'-P energy: -60.097
bonds (distance) P-C4' energy: -84.771
flat angles C4'-P-C4' energy: -101.737
flat angles P-C4'-P energy: -60.267
tors. eta vs tors. theta energy: -109.571
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: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1253.861826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.861826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.861826 (E_RNA)
where:
Base-Base interactions energy: -876.598
where: short stacking energy: -364.653
Base-Backbone interact. energy: -1.100
local terms energy: -376.163732
where:
bonds (distance) C4'-P energy: -75.491
bonds (distance) P-C4' energy: -69.611
flat angles C4'-P-C4' energy: -96.295
flat angles P-C4'-P energy: -47.812
tors. eta vs tors. theta energy: -86.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -935.229056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.229056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.229056 (E_RNA)
where:
Base-Base interactions energy: -591.515
where: short stacking energy: -267.513
Base-Backbone interact. energy: 4.063
local terms energy: -347.777251
where:
bonds (distance) C4'-P energy: -87.231
bonds (distance) P-C4' energy: -92.565
flat angles C4'-P-C4' energy: -83.515
flat angles P-C4'-P energy: -44.317
tors. eta vs tors. theta energy: -40.150
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: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -623.084035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.084035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.084035 (E_RNA)
where:
Base-Base interactions energy: -354.393
where: short stacking energy: -186.326
Base-Backbone interact. energy: -1.123
local terms energy: -267.568646
where:
bonds (distance) C4'-P energy: -80.436
bonds (distance) P-C4' energy: -76.162
flat angles C4'-P-C4' energy: -76.130
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: -7.438
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: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1870.255689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.255689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.255689 (E_RNA)
where:
Base-Base interactions energy: -1314.972
where: short stacking energy: -526.827
Base-Backbone interact. energy: 1.623
local terms energy: -556.906205
where:
bonds (distance) C4'-P energy: -108.308
bonds (distance) P-C4' energy: -110.773
flat angles C4'-P-C4' energy: -110.160
flat angles P-C4'-P energy: -83.061
tors. eta vs tors. theta energy: -144.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1812.942086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.942086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.942086 (E_RNA)
where:
Base-Base interactions energy: -1303.315
where: short stacking energy: -529.439
Base-Backbone interact. energy: -0.799
local terms energy: -508.828396
where:
bonds (distance) C4'-P energy: -95.213
bonds (distance) P-C4' energy: -90.670
flat angles C4'-P-C4' energy: -117.587
flat angles P-C4'-P energy: -68.157
tors. eta vs tors. theta energy: -137.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1767.204763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.204763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.204763 (E_RNA)
where:
Base-Base interactions energy: -1248.098
where: short stacking energy: -513.410
Base-Backbone interact. energy: -5.625
local terms energy: -513.480932
where:
bonds (distance) C4'-P energy: -100.889
bonds (distance) P-C4' energy: -95.004
flat angles C4'-P-C4' energy: -118.028
flat angles P-C4'-P energy: -50.299
tors. eta vs tors. theta energy: -149.260
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: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1714.043793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.043793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.043793 (E_RNA)
where:
Base-Base interactions energy: -1226.956
where: short stacking energy: -485.200
Base-Backbone interact. energy: -2.077
local terms energy: -485.010805
where:
bonds (distance) C4'-P energy: -97.713
bonds (distance) P-C4' energy: -85.455
flat angles C4'-P-C4' energy: -116.237
flat angles P-C4'-P energy: -56.290
tors. eta vs tors. theta energy: -129.316
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: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1635.040969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.040969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.040969 (E_RNA)
where:
Base-Base interactions energy: -1153.472
where: short stacking energy: -454.652
Base-Backbone interact. energy: -0.118
local terms energy: -481.450809
where:
bonds (distance) C4'-P energy: -89.466
bonds (distance) P-C4' energy: -91.409
flat angles C4'-P-C4' energy: -107.483
flat angles P-C4'-P energy: -72.054
tors. eta vs tors. theta energy: -121.038
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: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1483.741471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.741471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.741471 (E_RNA)
where:
Base-Base interactions energy: -1052.244
where: short stacking energy: -437.912
Base-Backbone interact. energy: -1.016
local terms energy: -430.480907
where:
bonds (distance) C4'-P energy: -85.753
bonds (distance) P-C4' energy: -70.660
flat angles C4'-P-C4' energy: -98.966
flat angles P-C4'-P energy: -71.390
tors. eta vs tors. theta energy: -103.711
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: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1458.028336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.028336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.028336 (E_RNA)
where:
Base-Base interactions energy: -1001.952
where: short stacking energy: -405.997
Base-Backbone interact. energy: 0.087
local terms energy: -456.162817
where:
bonds (distance) C4'-P energy: -77.301
bonds (distance) P-C4' energy: -99.523
flat angles C4'-P-C4' energy: -110.394
flat angles P-C4'-P energy: -62.804
tors. eta vs tors. theta energy: -106.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1279.126746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.126746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.126746 (E_RNA)
where:
Base-Base interactions energy: -892.773
where: short stacking energy: -364.171
Base-Backbone interact. energy: 0.689
local terms energy: -387.043064
where:
bonds (distance) C4'-P energy: -76.130
bonds (distance) P-C4' energy: -70.462
flat angles C4'-P-C4' energy: -99.419
flat angles P-C4'-P energy: -53.193
tors. eta vs tors. theta energy: -87.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -930.908018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.908018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.908018 (E_RNA)
where:
Base-Base interactions energy: -580.762
where: short stacking energy: -235.884
Base-Backbone interact. energy: -0.135
local terms energy: -350.010668
where:
bonds (distance) C4'-P energy: -74.519
bonds (distance) P-C4' energy: -99.317
flat angles C4'-P-C4' energy: -83.586
flat angles P-C4'-P energy: -47.568
tors. eta vs tors. theta energy: -45.021
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: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -660.289133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.289133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.289133 (E_RNA)
where:
Base-Base interactions energy: -361.600
where: short stacking energy: -190.509
Base-Backbone interact. energy: 0.395
local terms energy: -299.084225
where:
bonds (distance) C4'-P energy: -75.682
bonds (distance) P-C4' energy: -101.808
flat angles C4'-P-C4' energy: -73.290
flat angles P-C4'-P energy: -38.374
tors. eta vs tors. theta energy: -9.931
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: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1872.235199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.235199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.235199 (E_RNA)
where:
Base-Base interactions energy: -1328.777
where: short stacking energy: -529.209
Base-Backbone interact. energy: -3.463
local terms energy: -539.994649
where:
bonds (distance) C4'-P energy: -108.941
bonds (distance) P-C4' energy: -100.595
flat angles C4'-P-C4' energy: -111.061
flat angles P-C4'-P energy: -66.151
tors. eta vs tors. theta energy: -153.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1738.890511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.890511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.890511 (E_RNA)
where:
Base-Base interactions energy: -1223.421
where: short stacking energy: -474.472
Base-Backbone interact. energy: -5.061
local terms energy: -510.409353
where:
bonds (distance) C4'-P energy: -83.986
bonds (distance) P-C4' energy: -108.923
flat angles C4'-P-C4' energy: -115.069
flat angles P-C4'-P energy: -68.743
tors. eta vs tors. theta energy: -133.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1756.883846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.883846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.883846 (E_RNA)
where:
Base-Base interactions energy: -1231.096
where: short stacking energy: -470.392
Base-Backbone interact. energy: -2.128
local terms energy: -523.659998
where:
bonds (distance) C4'-P energy: -112.577
bonds (distance) P-C4' energy: -93.026
flat angles C4'-P-C4' energy: -111.508
flat angles P-C4'-P energy: -85.046
tors. eta vs tors. theta energy: -121.503
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: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1700.127114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.127114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.127114 (E_RNA)
where:
Base-Base interactions energy: -1212.485
where: short stacking energy: -501.523
Base-Backbone interact. energy: -2.053
local terms energy: -485.589792
where:
bonds (distance) C4'-P energy: -84.830
bonds (distance) P-C4' energy: -95.737
flat angles C4'-P-C4' energy: -110.287
flat angles P-C4'-P energy: -49.393
tors. eta vs tors. theta energy: -145.342
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: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1602.584668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.584668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.584668 (E_RNA)
where:
Base-Base interactions energy: -1128.872
where: short stacking energy: -460.364
Base-Backbone interact. energy: -3.004
local terms energy: -470.708056
where:
bonds (distance) C4'-P energy: -86.319
bonds (distance) P-C4' energy: -95.069
flat angles C4'-P-C4' energy: -110.623
flat angles P-C4'-P energy: -60.515
tors. eta vs tors. theta energy: -118.182
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: 152
Temperature: 1.150000
Total energy: -1550.881379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.881379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.881379 (E_RNA)
where:
Base-Base interactions energy: -1079.994
where: short stacking energy: -457.630
Base-Backbone interact. energy: 3.277
local terms energy: -474.164174
where:
bonds (distance) C4'-P energy: -87.643
bonds (distance) P-C4' energy: -91.681
flat angles C4'-P-C4' energy: -107.799
flat angles P-C4'-P energy: -59.132
tors. eta vs tors. theta energy: -127.910
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: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1412.470351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.470351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.470351 (E_RNA)
where:
Base-Base interactions energy: -988.495
where: short stacking energy: -416.461
Base-Backbone interact. energy: 0.937
local terms energy: -424.912812
where:
bonds (distance) C4'-P energy: -75.015
bonds (distance) P-C4' energy: -101.144
flat angles C4'-P-C4' energy: -96.019
flat angles P-C4'-P energy: -56.917
tors. eta vs tors. theta energy: -95.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1255.540806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.540806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.540806 (E_RNA)
where:
Base-Base interactions energy: -852.025
where: short stacking energy: -339.907
Base-Backbone interact. energy: -1.731
local terms energy: -401.785449
where:
bonds (distance) C4'-P energy: -95.104
bonds (distance) P-C4' energy: -102.707
flat angles C4'-P-C4' energy: -82.984
flat angles P-C4'-P energy: -54.720
tors. eta vs tors. theta energy: -66.271
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: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -936.023390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.023390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.023390 (E_RNA)
where:
Base-Base interactions energy: -579.689
where: short stacking energy: -235.067
Base-Backbone interact. energy: -0.199
local terms energy: -356.135417
where:
bonds (distance) C4'-P energy: -77.742
bonds (distance) P-C4' energy: -84.564
flat angles C4'-P-C4' energy: -93.303
flat angles P-C4'-P energy: -62.761
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: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -551.177803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.177803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.177803 (E_RNA)
where:
Base-Base interactions energy: -264.557
where: short stacking energy: -136.184
Base-Backbone interact. energy: -1.174
local terms energy: -285.446747
where:
bonds (distance) C4'-P energy: -81.065
bonds (distance) P-C4' energy: -88.891
flat angles C4'-P-C4' energy: -72.531
flat angles P-C4'-P energy: -45.410
tors. eta vs tors. theta energy: 2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1880.022121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.022121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.022121 (E_RNA)
where:
Base-Base interactions energy: -1331.137
where: short stacking energy: -524.351
Base-Backbone interact. energy: -1.584
local terms energy: -547.301157
where:
bonds (distance) C4'-P energy: -99.066
bonds (distance) P-C4' energy: -108.532
flat angles C4'-P-C4' energy: -115.703
flat angles P-C4'-P energy: -85.952
tors. eta vs tors. theta energy: -138.048
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: 153
Temperature: 0.950000
Total energy: -1775.234267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.234267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.234267 (E_RNA)
where:
Base-Base interactions energy: -1252.129
where: short stacking energy: -465.374
Base-Backbone interact. energy: -6.070
local terms energy: -517.035038
where:
bonds (distance) C4'-P energy: -104.054
bonds (distance) P-C4' energy: -95.673
flat angles C4'-P-C4' energy: -117.445
flat angles P-C4'-P energy: -73.911
tors. eta vs tors. theta energy: -125.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1700.574460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.574460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.574460 (E_RNA)
where:
Base-Base interactions energy: -1194.650
where: short stacking energy: -460.074
Base-Backbone interact. energy: 0.849
local terms energy: -506.773965
where:
bonds (distance) C4'-P energy: -94.847
bonds (distance) P-C4' energy: -97.806
flat angles C4'-P-C4' energy: -118.897
flat angles P-C4'-P energy: -76.637
tors. eta vs tors. theta energy: -118.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1692.308230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.308230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.308230 (E_RNA)
where:
Base-Base interactions energy: -1207.009
where: short stacking energy: -490.668
Base-Backbone interact. energy: -3.078
local terms energy: -482.221771
where:
bonds (distance) C4'-P energy: -83.893
bonds (distance) P-C4' energy: -92.571
flat angles C4'-P-C4' energy: -106.046
flat angles P-C4'-P energy: -68.385
tors. eta vs tors. theta energy: -131.328
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: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1576.037836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.037836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.037836 (E_RNA)
where:
Base-Base interactions energy: -1116.154
where: short stacking energy: -440.595
Base-Backbone interact. energy: -1.212
local terms energy: -458.671337
where:
bonds (distance) C4'-P energy: -71.747
bonds (distance) P-C4' energy: -81.489
flat angles C4'-P-C4' energy: -111.683
flat angles P-C4'-P energy: -65.680
tors. eta vs tors. theta energy: -128.072
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: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1514.744966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.744966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.744966 (E_RNA)
where:
Base-Base interactions energy: -1047.794
where: short stacking energy: -429.565
Base-Backbone interact. energy: -3.368
local terms energy: -463.582995
where:
bonds (distance) C4'-P energy: -88.833
bonds (distance) P-C4' energy: -87.388
flat angles C4'-P-C4' energy: -105.883
flat angles P-C4'-P energy: -64.458
tors. eta vs tors. theta energy: -117.021
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: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1423.045751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.045751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.045751 (E_RNA)
where:
Base-Base interactions energy: -983.925
where: short stacking energy: -418.295
Base-Backbone interact. energy: -3.490
local terms energy: -435.630828
where:
bonds (distance) C4'-P energy: -85.838
bonds (distance) P-C4' energy: -90.763
flat angles C4'-P-C4' energy: -93.266
flat angles P-C4'-P energy: -59.829
tors. eta vs tors. theta energy: -105.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1252.636833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.636833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.636833 (E_RNA)
where:
Base-Base interactions energy: -854.713
where: short stacking energy: -340.361
Base-Backbone interact. energy: 1.274
local terms energy: -399.197728
where:
bonds (distance) C4'-P energy: -82.106
bonds (distance) P-C4' energy: -80.743
flat angles C4'-P-C4' energy: -97.085
flat angles P-C4'-P energy: -52.792
tors. eta vs tors. theta energy: -86.472
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: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1004.469182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.469182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.469182 (E_RNA)
where:
Base-Base interactions energy: -654.154
where: short stacking energy: -320.113
Base-Backbone interact. energy: 8.504
local terms energy: -358.819243
where:
bonds (distance) C4'-P energy: -80.518
bonds (distance) P-C4' energy: -80.844
flat angles C4'-P-C4' energy: -81.852
flat angles P-C4'-P energy: -56.095
tors. eta vs tors. theta energy: -59.511
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: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -568.077100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.077100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.077100 (E_RNA)
where:
Base-Base interactions energy: -281.727
where: short stacking energy: -166.953
Base-Backbone interact. energy: -1.949
local terms energy: -284.401169
where:
bonds (distance) C4'-P energy: -84.865
bonds (distance) P-C4' energy: -78.563
flat angles C4'-P-C4' energy: -81.797
flat angles P-C4'-P energy: -50.714
tors. eta vs tors. theta energy: 11.538
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: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1888.036105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.036105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.036105 (E_RNA)
where:
Base-Base interactions energy: -1353.068
where: short stacking energy: -537.485
Base-Backbone interact. energy: -4.174
local terms energy: -530.794516
where:
bonds (distance) C4'-P energy: -91.274
bonds (distance) P-C4' energy: -92.009
flat angles C4'-P-C4' energy: -126.290
flat angles P-C4'-P energy: -81.526
tors. eta vs tors. theta energy: -139.696
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: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1771.715831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.715831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.715831 (E_RNA)
where:
Base-Base interactions energy: -1271.464
where: short stacking energy: -491.381
Base-Backbone interact. energy: -3.797
local terms energy: -496.455332
where:
bonds (distance) C4'-P energy: -85.855
bonds (distance) P-C4' energy: -95.508
flat angles C4'-P-C4' energy: -106.182
flat angles P-C4'-P energy: -79.863
tors. eta vs tors. theta energy: -129.047
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: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1709.367752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.367752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.367752 (E_RNA)
where:
Base-Base interactions energy: -1223.517
where: short stacking energy: -492.646
Base-Backbone interact. energy: 2.981
local terms energy: -488.831186
where:
bonds (distance) C4'-P energy: -89.813
bonds (distance) P-C4' energy: -97.239
flat angles C4'-P-C4' energy: -108.511
flat angles P-C4'-P energy: -62.254
tors. eta vs tors. theta energy: -131.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1691.306113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.306113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.306113 (E_RNA)
where:
Base-Base interactions energy: -1183.850
where: short stacking energy: -460.396
Base-Backbone interact. energy: -1.999
local terms energy: -505.457130
where:
bonds (distance) C4'-P energy: -84.528
bonds (distance) P-C4' energy: -97.793
flat angles C4'-P-C4' energy: -117.077
flat angles P-C4'-P energy: -73.439
tors. eta vs tors. theta energy: -132.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1619.198435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.198435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.198435 (E_RNA)
where:
Base-Base interactions energy: -1132.305
where: short stacking energy: -448.826
Base-Backbone interact. energy: -1.084
local terms energy: -485.809673
where:
bonds (distance) C4'-P energy: -90.579
bonds (distance) P-C4' energy: -84.251
flat angles C4'-P-C4' energy: -112.803
flat angles P-C4'-P energy: -74.440
tors. eta vs tors. theta energy: -123.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1459.466670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.466670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.466670 (E_RNA)
where:
Base-Base interactions energy: -1007.799
where: short stacking energy: -441.213
Base-Backbone interact. energy: -1.410
local terms energy: -450.257197
where:
bonds (distance) C4'-P energy: -99.666
bonds (distance) P-C4' energy: -92.961
flat angles C4'-P-C4' energy: -101.299
flat angles P-C4'-P energy: -41.086
tors. eta vs tors. theta energy: -115.245
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: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1411.340645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.340645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.340645 (E_RNA)
where:
Base-Base interactions energy: -993.261
where: short stacking energy: -423.450
Base-Backbone interact. energy: -2.354
local terms energy: -415.725997
where:
bonds (distance) C4'-P energy: -76.560
bonds (distance) P-C4' energy: -79.343
flat angles C4'-P-C4' energy: -107.678
flat angles P-C4'-P energy: -52.350
tors. eta vs tors. theta energy: -99.795
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: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1244.666053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.666053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.666053 (E_RNA)
where:
Base-Base interactions energy: -849.135
where: short stacking energy: -363.987
Base-Backbone interact. energy: -1.993
local terms energy: -393.537975
where:
bonds (distance) C4'-P energy: -76.996
bonds (distance) P-C4' energy: -85.723
flat angles C4'-P-C4' energy: -88.923
flat angles P-C4'-P energy: -50.751
tors. eta vs tors. theta energy: -91.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -976.375997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.375997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.375997 (E_RNA)
where:
Base-Base interactions energy: -597.390
where: short stacking energy: -285.153
Base-Backbone interact. energy: -0.369
local terms energy: -378.617574
where:
bonds (distance) C4'-P energy: -86.159
bonds (distance) P-C4' energy: -93.798
flat angles C4'-P-C4' energy: -93.691
flat angles P-C4'-P energy: -56.646
tors. eta vs tors. theta energy: -48.324
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: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -587.103790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.103790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.103790 (E_RNA)
where:
Base-Base interactions energy: -294.021
where: short stacking energy: -163.721
Base-Backbone interact. energy: -2.626
local terms energy: -290.457021
where:
bonds (distance) C4'-P energy: -73.996
bonds (distance) P-C4' energy: -91.352
flat angles C4'-P-C4' energy: -70.274
flat angles P-C4'-P energy: -56.416
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: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1870.965220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.965220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.965220 (E_RNA)
where:
Base-Base interactions energy: -1333.100
where: short stacking energy: -519.845
Base-Backbone interact. energy: -2.404
local terms energy: -535.461727
where:
bonds (distance) C4'-P energy: -100.420
bonds (distance) P-C4' energy: -105.379
flat angles C4'-P-C4' energy: -115.448
flat angles P-C4'-P energy: -76.463
tors. eta vs tors. theta energy: -137.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1778.408758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.408758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.408758 (E_RNA)
where:
Base-Base interactions energy: -1256.898
where: short stacking energy: -505.657
Base-Backbone interact. energy: -4.412
local terms energy: -517.098297
where:
bonds (distance) C4'-P energy: -93.723
bonds (distance) P-C4' energy: -94.201
flat angles C4'-P-C4' energy: -119.781
flat angles P-C4'-P energy: -70.900
tors. eta vs tors. theta energy: -138.493
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: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1708.149001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.149001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.149001 (E_RNA)
where:
Base-Base interactions energy: -1201.646
where: short stacking energy: -474.588
Base-Backbone interact. energy: -5.566
local terms energy: -500.937405
where:
bonds (distance) C4'-P energy: -90.436
bonds (distance) P-C4' energy: -95.984
flat angles C4'-P-C4' energy: -114.317
flat angles P-C4'-P energy: -68.751
tors. eta vs tors. theta energy: -131.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1683.786269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.786269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.786269 (E_RNA)
where:
Base-Base interactions energy: -1199.545
where: short stacking energy: -476.269
Base-Backbone interact. energy: -4.726
local terms energy: -479.515365
where:
bonds (distance) C4'-P energy: -86.354
bonds (distance) P-C4' energy: -91.153
flat angles C4'-P-C4' energy: -107.925
flat angles P-C4'-P energy: -67.171
tors. eta vs tors. theta energy: -126.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1581.748599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.748599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.748599 (E_RNA)
where:
Base-Base interactions energy: -1119.825
where: short stacking energy: -433.808
Base-Backbone interact. energy: -0.525
local terms energy: -461.399088
where:
bonds (distance) C4'-P energy: -91.967
bonds (distance) P-C4' energy: -91.256
flat angles C4'-P-C4' energy: -101.688
flat angles P-C4'-P energy: -61.415
tors. eta vs tors. theta energy: -115.074
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: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1492.790266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.790266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.790266 (E_RNA)
where:
Base-Base interactions energy: -1032.824
where: short stacking energy: -451.753
Base-Backbone interact. energy: -2.408
local terms energy: -457.558478
where:
bonds (distance) C4'-P energy: -84.796
bonds (distance) P-C4' energy: -71.632
flat angles C4'-P-C4' energy: -110.130
flat angles P-C4'-P energy: -69.895
tors. eta vs tors. theta energy: -121.105
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: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1361.553299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.553299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.553299 (E_RNA)
where:
Base-Base interactions energy: -947.909
where: short stacking energy: -386.811
Base-Backbone interact. energy: 0.727
local terms energy: -414.371546
where:
bonds (distance) C4'-P energy: -93.760
bonds (distance) P-C4' energy: -79.724
flat angles C4'-P-C4' energy: -93.730
flat angles P-C4'-P energy: -51.808
tors. eta vs tors. theta energy: -95.350
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: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1233.877062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.877062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.877062 (E_RNA)
where:
Base-Base interactions energy: -818.707
where: short stacking energy: -335.022
Base-Backbone interact. energy: -1.998
local terms energy: -413.172568
where:
bonds (distance) C4'-P energy: -90.988
bonds (distance) P-C4' energy: -91.616
flat angles C4'-P-C4' energy: -101.793
flat angles P-C4'-P energy: -63.662
tors. eta vs tors. theta energy: -65.114
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: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -980.446335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.446335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.446335 (E_RNA)
where:
Base-Base interactions energy: -610.210
where: short stacking energy: -291.780
Base-Backbone interact. energy: 1.174
local terms energy: -371.410120
where:
bonds (distance) C4'-P energy: -81.035
bonds (distance) P-C4' energy: -83.680
flat angles C4'-P-C4' energy: -79.712
flat angles P-C4'-P energy: -61.014
tors. eta vs tors. theta energy: -65.969
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: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -566.011143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.011143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.011143 (E_RNA)
where:
Base-Base interactions energy: -285.743
where: short stacking energy: -152.424
Base-Backbone interact. energy: 4.512
local terms energy: -284.779821
where:
bonds (distance) C4'-P energy: -78.786
bonds (distance) P-C4' energy: -89.100
flat angles C4'-P-C4' energy: -79.965
flat angles P-C4'-P energy: -48.923
tors. eta vs tors. theta energy: 11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1865.967582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.967582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.967582 (E_RNA)
where:
Base-Base interactions energy: -1322.580
where: short stacking energy: -511.683
Base-Backbone interact. energy: -4.290
local terms energy: -539.097646
where:
bonds (distance) C4'-P energy: -100.208
bonds (distance) P-C4' energy: -107.265
flat angles C4'-P-C4' energy: -120.511
flat angles P-C4'-P energy: -72.942
tors. eta vs tors. theta energy: -138.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1763.798976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.798976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.798976 (E_RNA)
where:
Base-Base interactions energy: -1248.663
where: short stacking energy: -506.475
Base-Backbone interact. energy: -5.898
local terms energy: -509.238179
where:
bonds (distance) C4'-P energy: -80.198
bonds (distance) P-C4' energy: -109.582
flat angles C4'-P-C4' energy: -110.166
flat angles P-C4'-P energy: -69.338
tors. eta vs tors. theta energy: -139.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1712.751159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.751159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.751159 (E_RNA)
where:
Base-Base interactions energy: -1212.703
where: short stacking energy: -499.178
Base-Backbone interact. energy: -4.780
local terms energy: -495.268305
where:
bonds (distance) C4'-P energy: -87.526
bonds (distance) P-C4' energy: -88.422
flat angles C4'-P-C4' energy: -107.912
flat angles P-C4'-P energy: -76.772
tors. eta vs tors. theta energy: -134.637
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: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1710.543388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.543388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.543388 (E_RNA)
where:
Base-Base interactions energy: -1209.892
where: short stacking energy: -502.037
Base-Backbone interact. energy: -1.591
local terms energy: -499.060073
where:
bonds (distance) C4'-P energy: -92.513
bonds (distance) P-C4' energy: -91.004
flat angles C4'-P-C4' energy: -109.900
flat angles P-C4'-P energy: -68.202
tors. eta vs tors. theta energy: -137.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1577.093130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.093130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.093130 (E_RNA)
where:
Base-Base interactions energy: -1112.077
where: short stacking energy: -440.145
Base-Backbone interact. energy: 0.404
local terms energy: -465.420394
where:
bonds (distance) C4'-P energy: -89.690
bonds (distance) P-C4' energy: -92.885
flat angles C4'-P-C4' energy: -98.151
flat angles P-C4'-P energy: -73.709
tors. eta vs tors. theta energy: -110.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1504.984914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.984914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.984914 (E_RNA)
where:
Base-Base interactions energy: -1049.738
where: short stacking energy: -427.969
Base-Backbone interact. energy: -0.860
local terms energy: -454.387700
where:
bonds (distance) C4'-P energy: -86.233
bonds (distance) P-C4' energy: -89.001
flat angles C4'-P-C4' energy: -93.739
flat angles P-C4'-P energy: -59.214
tors. eta vs tors. theta energy: -126.201
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: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1373.011897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.011897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.011897 (E_RNA)
where:
Base-Base interactions energy: -949.259
where: short stacking energy: -412.759
Base-Backbone interact. energy: -1.407
local terms energy: -422.346144
where:
bonds (distance) C4'-P energy: -74.831
bonds (distance) P-C4' energy: -82.512
flat angles C4'-P-C4' energy: -100.890
flat angles P-C4'-P energy: -63.430
tors. eta vs tors. theta energy: -100.683
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: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1323.669925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.669925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.669925 (E_RNA)
where:
Base-Base interactions energy: -916.762
where: short stacking energy: -371.049
Base-Backbone interact. energy: 0.030
local terms energy: -406.937801
where:
bonds (distance) C4'-P energy: -80.874
bonds (distance) P-C4' energy: -99.650
flat angles C4'-P-C4' energy: -81.569
flat angles P-C4'-P energy: -57.975
tors. eta vs tors. theta energy: -86.870
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: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1009.822708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.822708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.822708 (E_RNA)
where:
Base-Base interactions energy: -643.787
where: short stacking energy: -283.753
Base-Backbone interact. energy: -0.945
local terms energy: -365.091274
where:
bonds (distance) C4'-P energy: -81.225
bonds (distance) P-C4' energy: -91.156
flat angles C4'-P-C4' energy: -87.586
flat angles P-C4'-P energy: -46.412
tors. eta vs tors. theta energy: -58.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -611.426527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.426527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.426527 (E_RNA)
where:
Base-Base interactions energy: -343.158
where: short stacking energy: -182.961
Base-Backbone interact. energy: 2.050
local terms energy: -270.318530
where:
bonds (distance) C4'-P energy: -82.461
bonds (distance) P-C4' energy: -78.746
flat angles C4'-P-C4' energy: -72.061
flat angles P-C4'-P energy: -23.588
tors. eta vs tors. theta energy: -13.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1866.618851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.618851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.618851 (E_RNA)
where:
Base-Base interactions energy: -1303.482
where: short stacking energy: -505.106
Base-Backbone interact. energy: -4.340
local terms energy: -558.797133
where:
bonds (distance) C4'-P energy: -103.909
bonds (distance) P-C4' energy: -111.696
flat angles C4'-P-C4' energy: -116.967
flat angles P-C4'-P energy: -86.936
tors. eta vs tors. theta energy: -139.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1765.631670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.631670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.631670 (E_RNA)
where:
Base-Base interactions energy: -1242.710
where: short stacking energy: -496.854
Base-Backbone interact. energy: -3.726
local terms energy: -519.195097
where:
bonds (distance) C4'-P energy: -101.066
bonds (distance) P-C4' energy: -100.167
flat angles C4'-P-C4' energy: -114.957
flat angles P-C4'-P energy: -63.514
tors. eta vs tors. theta energy: -139.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1708.411756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.411756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.411756 (E_RNA)
where:
Base-Base interactions energy: -1219.358
where: short stacking energy: -484.729
Base-Backbone interact. energy: -3.987
local terms energy: -485.067414
where:
bonds (distance) C4'-P energy: -90.667
bonds (distance) P-C4' energy: -77.537
flat angles C4'-P-C4' energy: -110.224
flat angles P-C4'-P energy: -69.785
tors. eta vs tors. theta energy: -136.855
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: 157
Temperature: 1.050000
Total energy: -1678.194614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.194614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.194614 (E_RNA)
where:
Base-Base interactions energy: -1167.198
where: short stacking energy: -485.510
Base-Backbone interact. energy: -3.724
local terms energy: -507.272654
where:
bonds (distance) C4'-P energy: -82.623
bonds (distance) P-C4' energy: -96.763
flat angles C4'-P-C4' energy: -107.186
flat angles P-C4'-P energy: -75.428
tors. eta vs tors. theta energy: -145.273
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: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1584.699689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.699689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.699689 (E_RNA)
where:
Base-Base interactions energy: -1125.137
where: short stacking energy: -455.917
Base-Backbone interact. energy: -4.853
local terms energy: -454.709113
where:
bonds (distance) C4'-P energy: -96.860
bonds (distance) P-C4' energy: -66.848
flat angles C4'-P-C4' energy: -107.088
flat angles P-C4'-P energy: -61.478
tors. eta vs tors. theta energy: -122.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1488.135468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.135468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.135468 (E_RNA)
where:
Base-Base interactions energy: -1055.378
where: short stacking energy: -450.456
Base-Backbone interact. energy: -0.644
local terms energy: -432.113555
where:
bonds (distance) C4'-P energy: -70.260
bonds (distance) P-C4' energy: -79.185
flat angles C4'-P-C4' energy: -97.829
flat angles P-C4'-P energy: -68.252
tors. eta vs tors. theta energy: -116.587
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: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1290.771691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.771691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.771691 (E_RNA)
where:
Base-Base interactions energy: -872.293
where: short stacking energy: -358.146
Base-Backbone interact. energy: -1.455
local terms energy: -417.023751
where:
bonds (distance) C4'-P energy: -82.829
bonds (distance) P-C4' energy: -90.585
flat angles C4'-P-C4' energy: -81.842
flat angles P-C4'-P energy: -75.985
tors. eta vs tors. theta energy: -85.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1389.521984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.521984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.521984 (E_RNA)
where:
Base-Base interactions energy: -950.016
where: short stacking energy: -399.648
Base-Backbone interact. energy: -2.540
local terms energy: -436.966105
where:
bonds (distance) C4'-P energy: -75.806
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -107.830
flat angles P-C4'-P energy: -67.216
tors. eta vs tors. theta energy: -97.683
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: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -967.488247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.488247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.488247 (E_RNA)
where:
Base-Base interactions energy: -616.081
where: short stacking energy: -302.142
Base-Backbone interact. energy: -0.797
local terms energy: -350.610061
where:
bonds (distance) C4'-P energy: -86.962
bonds (distance) P-C4' energy: -80.011
flat angles C4'-P-C4' energy: -79.520
flat angles P-C4'-P energy: -61.829
tors. eta vs tors. theta energy: -42.289
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: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -655.045666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.045666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.045666 (E_RNA)
where:
Base-Base interactions energy: -359.761
where: short stacking energy: -188.911
Base-Backbone interact. energy: 2.659
local terms energy: -297.944050
where:
bonds (distance) C4'-P energy: -86.549
bonds (distance) P-C4' energy: -82.402
flat angles C4'-P-C4' energy: -77.085
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -21.720
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: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1868.101897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.101897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.101897 (E_RNA)
where:
Base-Base interactions energy: -1329.330
where: short stacking energy: -508.502
Base-Backbone interact. energy: -2.981
local terms energy: -535.790781
where:
bonds (distance) C4'-P energy: -105.129
bonds (distance) P-C4' energy: -103.126
flat angles C4'-P-C4' energy: -115.496
flat angles P-C4'-P energy: -72.453
tors. eta vs tors. theta energy: -139.588
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: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1765.132067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.132067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.132067 (E_RNA)
where:
Base-Base interactions energy: -1233.077
where: short stacking energy: -488.062
Base-Backbone interact. energy: -6.848
local terms energy: -525.207824
where:
bonds (distance) C4'-P energy: -95.968
bonds (distance) P-C4' energy: -108.618
flat angles C4'-P-C4' energy: -111.648
flat angles P-C4'-P energy: -79.128
tors. eta vs tors. theta energy: -129.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1721.656855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.656855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.656855 (E_RNA)
where:
Base-Base interactions energy: -1208.897
where: short stacking energy: -507.705
Base-Backbone interact. energy: -0.571
local terms energy: -512.188272
where:
bonds (distance) C4'-P energy: -94.207
bonds (distance) P-C4' energy: -91.626
flat angles C4'-P-C4' energy: -116.097
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -134.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1676.885371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.885371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.885371 (E_RNA)
where:
Base-Base interactions energy: -1154.064
where: short stacking energy: -468.705
Base-Backbone interact. energy: 1.872
local terms energy: -524.693069
where:
bonds (distance) C4'-P energy: -93.174
bonds (distance) P-C4' energy: -101.022
flat angles C4'-P-C4' energy: -111.293
flat angles P-C4'-P energy: -80.478
tors. eta vs tors. theta energy: -138.725
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: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1580.095711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.095711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.095711 (E_RNA)
where:
Base-Base interactions energy: -1103.769
where: short stacking energy: -436.969
Base-Backbone interact. energy: -1.821
local terms energy: -474.505517
where:
bonds (distance) C4'-P energy: -85.817
bonds (distance) P-C4' energy: -99.032
flat angles C4'-P-C4' energy: -103.916
flat angles P-C4'-P energy: -69.805
tors. eta vs tors. theta energy: -115.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1481.366763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.366763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.366763 (E_RNA)
where:
Base-Base interactions energy: -1018.455
where: short stacking energy: -446.688
Base-Backbone interact. energy: -3.497
local terms energy: -459.414942
where:
bonds (distance) C4'-P energy: -81.452
bonds (distance) P-C4' energy: -89.719
flat angles C4'-P-C4' energy: -100.874
flat angles P-C4'-P energy: -67.081
tors. eta vs tors. theta energy: -120.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1334.666157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.666157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.666157 (E_RNA)
where:
Base-Base interactions energy: -893.926
where: short stacking energy: -375.906
Base-Backbone interact. energy: 1.619
local terms energy: -442.359285
where:
bonds (distance) C4'-P energy: -97.757
bonds (distance) P-C4' energy: -89.061
flat angles C4'-P-C4' energy: -110.161
flat angles P-C4'-P energy: -45.305
tors. eta vs tors. theta energy: -100.076
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: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1358.683656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.683656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.683656 (E_RNA)
where:
Base-Base interactions energy: -949.580
where: short stacking energy: -372.621
Base-Backbone interact. energy: 8.094
local terms energy: -417.198129
where:
bonds (distance) C4'-P energy: -92.340
bonds (distance) P-C4' energy: -84.630
flat angles C4'-P-C4' energy: -98.310
flat angles P-C4'-P energy: -57.548
tors. eta vs tors. theta energy: -84.371
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: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -972.562694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.562694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.562694 (E_RNA)
where:
Base-Base interactions energy: -607.926
where: short stacking energy: -279.563
Base-Backbone interact. energy: -1.446
local terms energy: -363.189822
where:
bonds (distance) C4'-P energy: -88.393
bonds (distance) P-C4' energy: -77.067
flat angles C4'-P-C4' energy: -89.829
flat angles P-C4'-P energy: -52.364
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: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -669.494312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.494312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.494312 (E_RNA)
where:
Base-Base interactions energy: -340.227
where: short stacking energy: -185.285
Base-Backbone interact. energy: 5.292
local terms energy: -334.559570
where:
bonds (distance) C4'-P energy: -88.738
bonds (distance) P-C4' energy: -84.508
flat angles C4'-P-C4' energy: -92.242
flat angles P-C4'-P energy: -62.515
tors. eta vs tors. theta energy: -6.556
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: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1866.284205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.284205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.284205 (E_RNA)
where:
Base-Base interactions energy: -1333.815
where: short stacking energy: -536.492
Base-Backbone interact. energy: -2.413
local terms energy: -530.056237
where:
bonds (distance) C4'-P energy: -95.073
bonds (distance) P-C4' energy: -96.670
flat angles C4'-P-C4' energy: -117.044
flat angles P-C4'-P energy: -82.902
tors. eta vs tors. theta energy: -138.367
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: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1738.555901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.555901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.555901 (E_RNA)
where:
Base-Base interactions energy: -1237.473
where: short stacking energy: -513.933
Base-Backbone interact. energy: 0.388
local terms energy: -501.471160
where:
bonds (distance) C4'-P energy: -88.852
bonds (distance) P-C4' energy: -94.721
flat angles C4'-P-C4' energy: -118.369
flat angles P-C4'-P energy: -68.569
tors. eta vs tors. theta energy: -130.960
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: 159
Temperature: 1.000000
Total energy: -1714.282794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.282794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.282794 (E_RNA)
where:
Base-Base interactions energy: -1199.607
where: short stacking energy: -501.238
Base-Backbone interact. energy: 0.207
local terms energy: -514.883341
where:
bonds (distance) C4'-P energy: -73.714
bonds (distance) P-C4' energy: -102.580
flat angles C4'-P-C4' energy: -116.582
flat angles P-C4'-P energy: -85.114
tors. eta vs tors. theta energy: -136.894
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: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1685.942020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.942020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.942020 (E_RNA)
where:
Base-Base interactions energy: -1194.732
where: short stacking energy: -494.459
Base-Backbone interact. energy: -3.950
local terms energy: -487.260185
where:
bonds (distance) C4'-P energy: -86.316
bonds (distance) P-C4' energy: -102.134
flat angles C4'-P-C4' energy: -102.225
flat angles P-C4'-P energy: -64.708
tors. eta vs tors. theta energy: -131.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1567.727182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.727182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.727182 (E_RNA)
where:
Base-Base interactions energy: -1086.456
where: short stacking energy: -445.126
Base-Backbone interact. energy: -3.445
local terms energy: -477.825917
where:
bonds (distance) C4'-P energy: -84.813
bonds (distance) P-C4' energy: -102.333
flat angles C4'-P-C4' energy: -96.497
flat angles P-C4'-P energy: -68.601
tors. eta vs tors. theta energy: -125.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1474.909515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.909515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.909515 (E_RNA)
where:
Base-Base interactions energy: -1022.649
where: short stacking energy: -424.290
Base-Backbone interact. energy: 3.040
local terms energy: -455.300121
where:
bonds (distance) C4'-P energy: -67.840
bonds (distance) P-C4' energy: -95.469
flat angles C4'-P-C4' energy: -103.339
flat angles P-C4'-P energy: -67.308
tors. eta vs tors. theta energy: -121.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1339.390497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.390497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.390497 (E_RNA)
where:
Base-Base interactions energy: -913.102
where: short stacking energy: -364.060
Base-Backbone interact. energy: -2.731
local terms energy: -423.557684
where:
bonds (distance) C4'-P energy: -86.386
bonds (distance) P-C4' energy: -81.440
flat angles C4'-P-C4' energy: -96.549
flat angles P-C4'-P energy: -71.865
tors. eta vs tors. theta energy: -87.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1377.533290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.533290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.533290 (E_RNA)
where:
Base-Base interactions energy: -977.270
where: short stacking energy: -405.514
Base-Backbone interact. energy: -1.116
local terms energy: -399.147505
where:
bonds (distance) C4'-P energy: -76.078
bonds (distance) P-C4' energy: -83.927
flat angles C4'-P-C4' energy: -86.176
flat angles P-C4'-P energy: -56.339
tors. eta vs tors. theta energy: -96.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -949.046069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.046069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.046069 (E_RNA)
where:
Base-Base interactions energy: -591.162
where: short stacking energy: -284.421
Base-Backbone interact. energy: -3.205
local terms energy: -354.679395
where:
bonds (distance) C4'-P energy: -89.107
bonds (distance) P-C4' energy: -68.966
flat angles C4'-P-C4' energy: -98.933
flat angles P-C4'-P energy: -39.685
tors. eta vs tors. theta energy: -57.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -685.098235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.098235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.098235 (E_RNA)
where:
Base-Base interactions energy: -368.924
where: short stacking energy: -185.788
Base-Backbone interact. energy: 0.593
local terms energy: -316.767157
where:
bonds (distance) C4'-P energy: -73.648
bonds (distance) P-C4' energy: -92.819
flat angles C4'-P-C4' energy: -83.239
flat angles P-C4'-P energy: -54.171
tors. eta vs tors. theta energy: -12.890
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: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1839.791756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.791756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.791756 (E_RNA)
where:
Base-Base interactions energy: -1306.761
where: short stacking energy: -511.870
Base-Backbone interact. energy: -3.028
local terms energy: -530.002774
where:
bonds (distance) C4'-P energy: -95.539
bonds (distance) P-C4' energy: -115.947
flat angles C4'-P-C4' energy: -111.428
flat angles P-C4'-P energy: -76.255
tors. eta vs tors. theta energy: -130.834
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: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1761.986381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.986381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.986381 (E_RNA)
where:
Base-Base interactions energy: -1259.181
where: short stacking energy: -500.856
Base-Backbone interact. energy: -1.015
local terms energy: -501.790563
where:
bonds (distance) C4'-P energy: -84.445
bonds (distance) P-C4' energy: -101.285
flat angles C4'-P-C4' energy: -115.253
flat angles P-C4'-P energy: -62.050
tors. eta vs tors. theta energy: -138.758
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: 160
Temperature: 1.000000
Total energy: -1678.687760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.687760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.687760 (E_RNA)
where:
Base-Base interactions energy: -1189.982
where: short stacking energy: -484.943
Base-Backbone interact. energy: -3.213
local terms energy: -485.492785
where:
bonds (distance) C4'-P energy: -91.186
bonds (distance) P-C4' energy: -83.163
flat angles C4'-P-C4' energy: -110.329
flat angles P-C4'-P energy: -81.397
tors. eta vs tors. theta energy: -119.418
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: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1690.485171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.485171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.485171 (E_RNA)
where:
Base-Base interactions energy: -1190.223
where: short stacking energy: -487.339
Base-Backbone interact. energy: -0.519
local terms energy: -499.743308
where:
bonds (distance) C4'-P energy: -91.081
bonds (distance) P-C4' energy: -92.733
flat angles C4'-P-C4' energy: -115.837
flat angles P-C4'-P energy: -65.808
tors. eta vs tors. theta energy: -134.284
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: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1557.822198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.822198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.822198 (E_RNA)
where:
Base-Base interactions energy: -1085.040
where: short stacking energy: -448.451
Base-Backbone interact. energy: 2.313
local terms energy: -475.095609
where:
bonds (distance) C4'-P energy: -94.465
bonds (distance) P-C4' energy: -96.840
flat angles C4'-P-C4' energy: -94.080
flat angles P-C4'-P energy: -70.328
tors. eta vs tors. theta energy: -119.382
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: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1438.925349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.925349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.925349 (E_RNA)
where:
Base-Base interactions energy: -986.939
where: short stacking energy: -419.307
Base-Backbone interact. energy: 1.556
local terms energy: -453.542329
where:
bonds (distance) C4'-P energy: -79.383
bonds (distance) P-C4' energy: -93.850
flat angles C4'-P-C4' energy: -106.015
flat angles P-C4'-P energy: -59.754
tors. eta vs tors. theta energy: -114.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1465.774342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.774342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.774342 (E_RNA)
where:
Base-Base interactions energy: -1017.691
where: short stacking energy: -429.789
Base-Backbone interact. energy: 5.914
local terms energy: -453.996588
where:
bonds (distance) C4'-P energy: -89.562
bonds (distance) P-C4' energy: -103.160
flat angles C4'-P-C4' energy: -98.463
flat angles P-C4'-P energy: -60.136
tors. eta vs tors. theta energy: -102.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1271.070954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.070954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.070954 (E_RNA)
where:
Base-Base interactions energy: -849.884
where: short stacking energy: -343.374
Base-Backbone interact. energy: -2.066
local terms energy: -419.120541
where:
bonds (distance) C4'-P energy: -91.755
bonds (distance) P-C4' energy: -87.430
flat angles C4'-P-C4' energy: -86.547
flat angles P-C4'-P energy: -55.791
tors. eta vs tors. theta energy: -97.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -956.892665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.892665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.892665 (E_RNA)
where:
Base-Base interactions energy: -582.669
where: short stacking energy: -291.554
Base-Backbone interact. energy: 1.298
local terms energy: -375.520905
where:
bonds (distance) C4'-P energy: -80.654
bonds (distance) P-C4' energy: -90.975
flat angles C4'-P-C4' energy: -97.315
flat angles P-C4'-P energy: -48.850
tors. eta vs tors. theta energy: -57.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -619.784315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.784315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.784315 (E_RNA)
where:
Base-Base interactions energy: -343.912
where: short stacking energy: -160.153
Base-Backbone interact. energy: 1.127
local terms energy: -276.998740
where:
bonds (distance) C4'-P energy: -76.022
bonds (distance) P-C4' energy: -80.687
flat angles C4'-P-C4' energy: -62.033
flat angles P-C4'-P energy: -49.638
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1855.917858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.917858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.917858 (E_RNA)
where:
Base-Base interactions energy: -1330.705
where: short stacking energy: -534.978
Base-Backbone interact. energy: 1.335
local terms energy: -526.548473
where:
bonds (distance) C4'-P energy: -92.835
bonds (distance) P-C4' energy: -103.105
flat angles C4'-P-C4' energy: -112.885
flat angles P-C4'-P energy: -71.100
tors. eta vs tors. theta energy: -146.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1774.720856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.720856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.720856 (E_RNA)
where:
Base-Base interactions energy: -1255.091
where: short stacking energy: -501.028
Base-Backbone interact. energy: -1.805
local terms energy: -517.825431
where:
bonds (distance) C4'-P energy: -103.875
bonds (distance) P-C4' energy: -93.423
flat angles C4'-P-C4' energy: -104.923
flat angles P-C4'-P energy: -82.548
tors. eta vs tors. theta energy: -133.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1728.407885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.407885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.407885 (E_RNA)
where:
Base-Base interactions energy: -1219.137
where: short stacking energy: -466.554
Base-Backbone interact. energy: 0.774
local terms energy: -510.045161
where:
bonds (distance) C4'-P energy: -93.749
bonds (distance) P-C4' energy: -109.681
flat angles C4'-P-C4' energy: -100.680
flat angles P-C4'-P energy: -75.680
tors. eta vs tors. theta energy: -130.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1685.392676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.392676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.392676 (E_RNA)
where:
Base-Base interactions energy: -1198.531
where: short stacking energy: -483.706
Base-Backbone interact. energy: -2.514
local terms energy: -484.347723
where:
bonds (distance) C4'-P energy: -87.750
bonds (distance) P-C4' energy: -101.342
flat angles C4'-P-C4' energy: -95.943
flat angles P-C4'-P energy: -63.642
tors. eta vs tors. theta energy: -135.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1575.645673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.645673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.645673 (E_RNA)
where:
Base-Base interactions energy: -1115.651
where: short stacking energy: -447.586
Base-Backbone interact. energy: 1.159
local terms energy: -461.154316
where:
bonds (distance) C4'-P energy: -77.476
bonds (distance) P-C4' energy: -98.910
flat angles C4'-P-C4' energy: -96.504
flat angles P-C4'-P energy: -71.193
tors. eta vs tors. theta energy: -117.071
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: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1498.857920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.857920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.857920 (E_RNA)
where:
Base-Base interactions energy: -1038.284
where: short stacking energy: -420.604
Base-Backbone interact. energy: -4.168
local terms energy: -456.406081
where:
bonds (distance) C4'-P energy: -91.886
bonds (distance) P-C4' energy: -102.032
flat angles C4'-P-C4' energy: -99.341
flat angles P-C4'-P energy: -63.673
tors. eta vs tors. theta energy: -99.475
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: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1408.780947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.780947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.780947 (E_RNA)
where:
Base-Base interactions energy: -967.139
where: short stacking energy: -396.383
Base-Backbone interact. energy: -1.054
local terms energy: -440.588185
where:
bonds (distance) C4'-P energy: -77.043
bonds (distance) P-C4' energy: -106.769
flat angles C4'-P-C4' energy: -97.506
flat angles P-C4'-P energy: -58.951
tors. eta vs tors. theta energy: -100.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1231.989489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.989489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.989489 (E_RNA)
where:
Base-Base interactions energy: -826.519
where: short stacking energy: -350.876
Base-Backbone interact. energy: 0.271
local terms energy: -405.741018
where:
bonds (distance) C4'-P energy: -97.491
bonds (distance) P-C4' energy: -74.763
flat angles C4'-P-C4' energy: -91.745
flat angles P-C4'-P energy: -64.435
tors. eta vs tors. theta energy: -77.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -953.245784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.245784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.245784 (E_RNA)
where:
Base-Base interactions energy: -623.749
where: short stacking energy: -303.787
Base-Backbone interact. energy: 4.552
local terms energy: -334.049428
where:
bonds (distance) C4'-P energy: -77.977
bonds (distance) P-C4' energy: -82.097
flat angles C4'-P-C4' energy: -82.763
flat angles P-C4'-P energy: -44.335
tors. eta vs tors. theta energy: -46.877
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: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -658.797749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.797749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.797749 (E_RNA)
where:
Base-Base interactions energy: -364.018
where: short stacking energy: -188.546
Base-Backbone interact. energy: 0.495
local terms energy: -295.274404
where:
bonds (distance) C4'-P energy: -74.333
bonds (distance) P-C4' energy: -72.783
flat angles C4'-P-C4' energy: -82.790
flat angles P-C4'-P energy: -52.781
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1865.852598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.852598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.852598 (E_RNA)
where:
Base-Base interactions energy: -1334.374
where: short stacking energy: -521.793
Base-Backbone interact. energy: -5.652
local terms energy: -525.827144
where:
bonds (distance) C4'-P energy: -91.266
bonds (distance) P-C4' energy: -109.063
flat angles C4'-P-C4' energy: -116.306
flat angles P-C4'-P energy: -74.070
tors. eta vs tors. theta energy: -135.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1794.129891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.129891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.129891 (E_RNA)
where:
Base-Base interactions energy: -1265.852
where: short stacking energy: -506.460
Base-Backbone interact. energy: -2.822
local terms energy: -525.456771
where:
bonds (distance) C4'-P energy: -102.859
bonds (distance) P-C4' energy: -92.634
flat angles C4'-P-C4' energy: -124.358
flat angles P-C4'-P energy: -70.340
tors. eta vs tors. theta energy: -135.265
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: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1701.886492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.886492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.886492 (E_RNA)
where:
Base-Base interactions energy: -1198.071
where: short stacking energy: -482.108
Base-Backbone interact. energy: -1.308
local terms energy: -502.507400
where:
bonds (distance) C4'-P energy: -88.186
bonds (distance) P-C4' energy: -100.944
flat angles C4'-P-C4' energy: -96.518
flat angles P-C4'-P energy: -82.004
tors. eta vs tors. theta energy: -134.855
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: 162
Temperature: 1.050000
Total energy: -1668.505533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.505533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.505533 (E_RNA)
where:
Base-Base interactions energy: -1174.627
where: short stacking energy: -463.069
Base-Backbone interact. energy: -4.064
local terms energy: -489.814789
where:
bonds (distance) C4'-P energy: -83.649
bonds (distance) P-C4' energy: -104.079
flat angles C4'-P-C4' energy: -105.785
flat angles P-C4'-P energy: -75.842
tors. eta vs tors. theta energy: -120.459
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: 5, replica: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1590.341101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.341101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.341101 (E_RNA)
where:
Base-Base interactions energy: -1113.851
where: short stacking energy: -443.504
Base-Backbone interact. energy: -2.316
local terms energy: -474.173983
where:
bonds (distance) C4'-P energy: -89.081
bonds (distance) P-C4' energy: -105.133
flat angles C4'-P-C4' energy: -102.104
flat angles P-C4'-P energy: -68.715
tors. eta vs tors. theta energy: -109.141
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: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1485.183139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.183139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.183139 (E_RNA)
where:
Base-Base interactions energy: -1035.802
where: short stacking energy: -422.759
Base-Backbone interact. energy: -3.043
local terms energy: -446.338520
where:
bonds (distance) C4'-P energy: -83.657
bonds (distance) P-C4' energy: -84.227
flat angles C4'-P-C4' energy: -103.115
flat angles P-C4'-P energy: -71.692
tors. eta vs tors. theta energy: -103.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1388.917900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.917900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.917900 (E_RNA)
where:
Base-Base interactions energy: -955.795
where: short stacking energy: -393.433
Base-Backbone interact. energy: -1.215
local terms energy: -431.907431
where:
bonds (distance) C4'-P energy: -87.071
bonds (distance) P-C4' energy: -87.410
flat angles C4'-P-C4' energy: -106.644
flat angles P-C4'-P energy: -52.882
tors. eta vs tors. theta energy: -97.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1250.870668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.870668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.870668 (E_RNA)
where:
Base-Base interactions energy: -832.910
where: short stacking energy: -347.748
Base-Backbone interact. energy: -2.093
local terms energy: -415.867856
where:
bonds (distance) C4'-P energy: -87.325
bonds (distance) P-C4' energy: -83.428
flat angles C4'-P-C4' energy: -101.682
flat angles P-C4'-P energy: -65.006
tors. eta vs tors. theta energy: -78.426
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: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -985.897695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.897695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.897695 (E_RNA)
where:
Base-Base interactions energy: -609.334
where: short stacking energy: -305.857
Base-Backbone interact. energy: -1.492
local terms energy: -375.072301
where:
bonds (distance) C4'-P energy: -100.430
bonds (distance) P-C4' energy: -72.777
flat angles C4'-P-C4' energy: -82.400
flat angles P-C4'-P energy: -56.410
tors. eta vs tors. theta energy: -63.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -663.427210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.427210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.427210 (E_RNA)
where:
Base-Base interactions energy: -375.523
where: short stacking energy: -220.332
Base-Backbone interact. energy: 0.921
local terms energy: -288.824991
where:
bonds (distance) C4'-P energy: -80.862
bonds (distance) P-C4' energy: -62.849
flat angles C4'-P-C4' energy: -78.828
flat angles P-C4'-P energy: -46.877
tors. eta vs tors. theta energy: -19.409
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: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1854.383633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.383633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.383633 (E_RNA)
where:
Base-Base interactions energy: -1317.584
where: short stacking energy: -514.694
Base-Backbone interact. energy: -4.145
local terms energy: -532.654375
where:
bonds (distance) C4'-P energy: -89.315
bonds (distance) P-C4' energy: -103.511
flat angles C4'-P-C4' energy: -117.721
flat angles P-C4'-P energy: -84.622
tors. eta vs tors. theta energy: -137.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1783.386612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.386612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.386612 (E_RNA)
where:
Base-Base interactions energy: -1252.000
where: short stacking energy: -535.363
Base-Backbone interact. energy: -2.273
local terms energy: -529.112998
where:
bonds (distance) C4'-P energy: -101.822
bonds (distance) P-C4' energy: -109.283
flat angles C4'-P-C4' energy: -101.897
flat angles P-C4'-P energy: -76.596
tors. eta vs tors. theta energy: -139.516
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: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1708.350530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.350530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.350530 (E_RNA)
where:
Base-Base interactions energy: -1209.286
where: short stacking energy: -461.112
Base-Backbone interact. energy: -3.960
local terms energy: -495.104222
where:
bonds (distance) C4'-P energy: -87.310
bonds (distance) P-C4' energy: -93.903
flat angles C4'-P-C4' energy: -113.244
flat angles P-C4'-P energy: -78.875
tors. eta vs tors. theta energy: -121.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1685.469826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.469826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.469826 (E_RNA)
where:
Base-Base interactions energy: -1167.864
where: short stacking energy: -471.014
Base-Backbone interact. energy: -1.062
local terms energy: -516.543840
where:
bonds (distance) C4'-P energy: -96.937
bonds (distance) P-C4' energy: -110.615
flat angles C4'-P-C4' energy: -108.091
flat angles P-C4'-P energy: -69.958
tors. eta vs tors. theta energy: -130.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1589.792699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.792699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.792699 (E_RNA)
where:
Base-Base interactions energy: -1092.842
where: short stacking energy: -473.331
Base-Backbone interact. energy: -1.520
local terms energy: -495.430178
where:
bonds (distance) C4'-P energy: -97.961
bonds (distance) P-C4' energy: -90.247
flat angles C4'-P-C4' energy: -112.715
flat angles P-C4'-P energy: -67.553
tors. eta vs tors. theta energy: -126.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1439.978999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.978999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.978999 (E_RNA)
where:
Base-Base interactions energy: -988.613
where: short stacking energy: -418.012
Base-Backbone interact. energy: -1.616
local terms energy: -449.750248
where:
bonds (distance) C4'-P energy: -88.026
bonds (distance) P-C4' energy: -88.945
flat angles C4'-P-C4' energy: -90.603
flat angles P-C4'-P energy: -67.852
tors. eta vs tors. theta energy: -114.325
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: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1473.346560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.346560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.346560 (E_RNA)
where:
Base-Base interactions energy: -1012.423
where: short stacking energy: -440.888
Base-Backbone interact. energy: -3.002
local terms energy: -457.920830
where:
bonds (distance) C4'-P energy: -85.110
bonds (distance) P-C4' energy: -97.756
flat angles C4'-P-C4' energy: -89.753
flat angles P-C4'-P energy: -78.460
tors. eta vs tors. theta energy: -106.842
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: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1246.285908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.285908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.285908 (E_RNA)
where:
Base-Base interactions energy: -819.676
where: short stacking energy: -344.771
Base-Backbone interact. energy: 7.125
local terms energy: -433.734708
where:
bonds (distance) C4'-P energy: -94.362
bonds (distance) P-C4' energy: -97.330
flat angles C4'-P-C4' energy: -95.791
flat angles P-C4'-P energy: -63.432
tors. eta vs tors. theta energy: -82.820
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: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -987.236113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.236113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.236113 (E_RNA)
where:
Base-Base interactions energy: -634.056
where: short stacking energy: -306.067
Base-Backbone interact. energy: -3.294
local terms energy: -349.886525
where:
bonds (distance) C4'-P energy: -83.182
bonds (distance) P-C4' energy: -68.365
flat angles C4'-P-C4' energy: -90.474
flat angles P-C4'-P energy: -50.401
tors. eta vs tors. theta energy: -57.464
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: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -678.861077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.861077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.861077 (E_RNA)
where:
Base-Base interactions energy: -381.508
where: short stacking energy: -210.440
Base-Backbone interact. energy: 6.850
local terms energy: -304.203488
where:
bonds (distance) C4'-P energy: -90.704
bonds (distance) P-C4' energy: -78.407
flat angles C4'-P-C4' energy: -73.951
flat angles P-C4'-P energy: -33.900
tors. eta vs tors. theta energy: -27.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1885.907804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.907804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.907804 (E_RNA)
where:
Base-Base interactions energy: -1335.651
where: short stacking energy: -538.637
Base-Backbone interact. energy: -3.493
local terms energy: -546.763495
where:
bonds (distance) C4'-P energy: -104.372
bonds (distance) P-C4' energy: -106.536
flat angles C4'-P-C4' energy: -122.581
flat angles P-C4'-P energy: -74.005
tors. eta vs tors. theta energy: -139.270
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: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1737.355782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.355782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.355782 (E_RNA)
where:
Base-Base interactions energy: -1225.913
where: short stacking energy: -481.849
Base-Backbone interact. energy: 0.406
local terms energy: -511.848648
where:
bonds (distance) C4'-P energy: -90.430
bonds (distance) P-C4' energy: -110.731
flat angles C4'-P-C4' energy: -109.022
flat angles P-C4'-P energy: -70.897
tors. eta vs tors. theta energy: -130.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1729.222792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.222792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.222792 (E_RNA)
where:
Base-Base interactions energy: -1202.828
where: short stacking energy: -490.690
Base-Backbone interact. energy: -2.522
local terms energy: -523.872837
where:
bonds (distance) C4'-P energy: -100.480
bonds (distance) P-C4' energy: -112.741
flat angles C4'-P-C4' energy: -111.332
flat angles P-C4'-P energy: -59.400
tors. eta vs tors. theta energy: -139.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1631.217903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.217903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.217903 (E_RNA)
where:
Base-Base interactions energy: -1131.162
where: short stacking energy: -448.105
Base-Backbone interact. energy: -4.034
local terms energy: -496.022668
where:
bonds (distance) C4'-P energy: -93.761
bonds (distance) P-C4' energy: -100.729
flat angles C4'-P-C4' energy: -114.281
flat angles P-C4'-P energy: -68.968
tors. eta vs tors. theta energy: -118.284
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: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1591.787886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.787886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.787886 (E_RNA)
where:
Base-Base interactions energy: -1134.876
where: short stacking energy: -454.556
Base-Backbone interact. energy: -2.029
local terms energy: -454.882499
where:
bonds (distance) C4'-P energy: -89.323
bonds (distance) P-C4' energy: -89.275
flat angles C4'-P-C4' energy: -101.749
flat angles P-C4'-P energy: -55.557
tors. eta vs tors. theta energy: -118.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1419.375003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.375003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.375003 (E_RNA)
where:
Base-Base interactions energy: -939.247
where: short stacking energy: -410.981
Base-Backbone interact. energy: -3.637
local terms energy: -476.490872
where:
bonds (distance) C4'-P energy: -101.049
bonds (distance) P-C4' energy: -91.571
flat angles C4'-P-C4' energy: -99.497
flat angles P-C4'-P energy: -81.933
tors. eta vs tors. theta energy: -102.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1403.229432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.229432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.229432 (E_RNA)
where:
Base-Base interactions energy: -1007.485
where: short stacking energy: -405.022
Base-Backbone interact. energy: 2.554
local terms energy: -398.298062
where:
bonds (distance) C4'-P energy: -82.492
bonds (distance) P-C4' energy: -87.348
flat angles C4'-P-C4' energy: -84.073
flat angles P-C4'-P energy: -50.576
tors. eta vs tors. theta energy: -93.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1242.384424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.384424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.384424 (E_RNA)
where:
Base-Base interactions energy: -814.486
where: short stacking energy: -350.705
Base-Backbone interact. energy: -0.868
local terms energy: -427.030820
where:
bonds (distance) C4'-P energy: -82.112
bonds (distance) P-C4' energy: -100.523
flat angles C4'-P-C4' energy: -97.195
flat angles P-C4'-P energy: -69.930
tors. eta vs tors. theta energy: -77.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -933.931436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.931436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.931436 (E_RNA)
where:
Base-Base interactions energy: -591.512
where: short stacking energy: -283.461
Base-Backbone interact. energy: -4.295
local terms energy: -338.124083
where:
bonds (distance) C4'-P energy: -75.242
bonds (distance) P-C4' energy: -73.005
flat angles C4'-P-C4' energy: -82.881
flat angles P-C4'-P energy: -54.531
tors. eta vs tors. theta energy: -52.464
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: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -667.362771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.362771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.362771 (E_RNA)
where:
Base-Base interactions energy: -388.434
where: short stacking energy: -196.042
Base-Backbone interact. energy: 2.721
local terms energy: -281.649404
where:
bonds (distance) C4'-P energy: -78.539
bonds (distance) P-C4' energy: -82.364
flat angles C4'-P-C4' energy: -83.640
flat angles P-C4'-P energy: -37.857
tors. eta vs tors. theta energy: 0.749
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: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1877.268585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.268585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.268585 (E_RNA)
where:
Base-Base interactions energy: -1321.607
where: short stacking energy: -546.756
Base-Backbone interact. energy: -3.937
local terms energy: -551.724191
where:
bonds (distance) C4'-P energy: -97.704
bonds (distance) P-C4' energy: -99.304
flat angles C4'-P-C4' energy: -124.660
flat angles P-C4'-P energy: -83.696
tors. eta vs tors. theta energy: -146.360
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: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1756.221969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.221969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.221969 (E_RNA)
where:
Base-Base interactions energy: -1260.337
where: short stacking energy: -516.178
Base-Backbone interact. energy: -0.982
local terms energy: -494.903328
where:
bonds (distance) C4'-P energy: -95.133
bonds (distance) P-C4' energy: -104.096
flat angles C4'-P-C4' energy: -99.047
flat angles P-C4'-P energy: -58.707
tors. eta vs tors. theta energy: -137.920
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: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1711.855688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.855688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.855688 (E_RNA)
where:
Base-Base interactions energy: -1233.281
where: short stacking energy: -488.675
Base-Backbone interact. energy: 1.008
local terms energy: -479.582383
where:
bonds (distance) C4'-P energy: -88.384
bonds (distance) P-C4' energy: -86.294
flat angles C4'-P-C4' energy: -114.108
flat angles P-C4'-P energy: -72.562
tors. eta vs tors. theta energy: -118.235
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: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1624.063091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.063091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.063091 (E_RNA)
where:
Base-Base interactions energy: -1172.214
where: short stacking energy: -462.664
Base-Backbone interact. energy: 0.552
local terms energy: -452.400760
where:
bonds (distance) C4'-P energy: -81.974
bonds (distance) P-C4' energy: -78.744
flat angles C4'-P-C4' energy: -114.125
flat angles P-C4'-P energy: -67.260
tors. eta vs tors. theta energy: -110.299
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: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1597.997800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.997800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.997800 (E_RNA)
where:
Base-Base interactions energy: -1126.764
where: short stacking energy: -466.650
Base-Backbone interact. energy: -0.085
local terms energy: -471.148896
where:
bonds (distance) C4'-P energy: -92.055
bonds (distance) P-C4' energy: -95.614
flat angles C4'-P-C4' energy: -93.990
flat angles P-C4'-P energy: -60.408
tors. eta vs tors. theta energy: -129.083
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: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1441.303486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.303486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.303486 (E_RNA)
where:
Base-Base interactions energy: -986.259
where: short stacking energy: -406.192
Base-Backbone interact. energy: -1.500
local terms energy: -453.544547
where:
bonds (distance) C4'-P energy: -102.350
bonds (distance) P-C4' energy: -87.622
flat angles C4'-P-C4' energy: -101.246
flat angles P-C4'-P energy: -61.350
tors. eta vs tors. theta energy: -100.976
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: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1368.651821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.651821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.651821 (E_RNA)
where:
Base-Base interactions energy: -962.339
where: short stacking energy: -394.394
Base-Backbone interact. energy: 0.534
local terms energy: -406.846738
where:
bonds (distance) C4'-P energy: -75.156
bonds (distance) P-C4' energy: -78.916
flat angles C4'-P-C4' energy: -97.509
flat angles P-C4'-P energy: -60.385
tors. eta vs tors. theta energy: -94.881
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: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1205.873831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.873831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.873831 (E_RNA)
where:
Base-Base interactions energy: -823.570
where: short stacking energy: -355.170
Base-Backbone interact. energy: 11.472
local terms energy: -393.775998
where:
bonds (distance) C4'-P energy: -69.824
bonds (distance) P-C4' energy: -96.057
flat angles C4'-P-C4' energy: -97.161
flat angles P-C4'-P energy: -60.332
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: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -928.499171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.499171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.499171 (E_RNA)
where:
Base-Base interactions energy: -595.836
where: short stacking energy: -275.331
Base-Backbone interact. energy: 2.430
local terms energy: -335.092822
where:
bonds (distance) C4'-P energy: -85.539
bonds (distance) P-C4' energy: -74.358
flat angles C4'-P-C4' energy: -79.344
flat angles P-C4'-P energy: -44.933
tors. eta vs tors. theta energy: -50.919
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: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -642.136597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.136597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.136597 (E_RNA)
where:
Base-Base interactions energy: -358.066
where: short stacking energy: -188.638
Base-Backbone interact. energy: 7.247
local terms energy: -291.317693
where:
bonds (distance) C4'-P energy: -71.759
bonds (distance) P-C4' energy: -90.440
flat angles C4'-P-C4' energy: -69.706
flat angles P-C4'-P energy: -38.168
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1853.281303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.281303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.281303 (E_RNA)
where:
Base-Base interactions energy: -1299.043
where: short stacking energy: -525.537
Base-Backbone interact. energy: -0.707
local terms energy: -553.531033
where:
bonds (distance) C4'-P energy: -102.222
bonds (distance) P-C4' energy: -111.342
flat angles C4'-P-C4' energy: -114.413
flat angles P-C4'-P energy: -80.472
tors. eta vs tors. theta energy: -145.082
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: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1744.605863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.605863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.605863 (E_RNA)
where:
Base-Base interactions energy: -1214.161
where: short stacking energy: -491.705
Base-Backbone interact. energy: -4.742
local terms energy: -525.702235
where:
bonds (distance) C4'-P energy: -90.018
bonds (distance) P-C4' energy: -106.097
flat angles C4'-P-C4' energy: -112.350
flat angles P-C4'-P energy: -79.734
tors. eta vs tors. theta energy: -137.503
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: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1716.110196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.110196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.110196 (E_RNA)
where:
Base-Base interactions energy: -1205.035
where: short stacking energy: -494.001
Base-Backbone interact. energy: -2.866
local terms energy: -508.208603
where:
bonds (distance) C4'-P energy: -101.121
bonds (distance) P-C4' energy: -93.991
flat angles C4'-P-C4' energy: -113.264
flat angles P-C4'-P energy: -60.456
tors. eta vs tors. theta energy: -139.377
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: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1601.998607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.998607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.998607 (E_RNA)
where:
Base-Base interactions energy: -1140.879
where: short stacking energy: -448.424
Base-Backbone interact. energy: 0.010
local terms energy: -461.129286
where:
bonds (distance) C4'-P energy: -76.168
bonds (distance) P-C4' energy: -102.384
flat angles C4'-P-C4' energy: -105.171
flat angles P-C4'-P energy: -68.564
tors. eta vs tors. theta energy: -108.843
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: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1552.316959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.316959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.316959 (E_RNA)
where:
Base-Base interactions energy: -1079.422
where: short stacking energy: -439.077
Base-Backbone interact. energy: -3.997
local terms energy: -468.897821
where:
bonds (distance) C4'-P energy: -93.620
bonds (distance) P-C4' energy: -80.887
flat angles C4'-P-C4' energy: -110.558
flat angles P-C4'-P energy: -72.417
tors. eta vs tors. theta energy: -111.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1465.744351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.744351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.744351 (E_RNA)
where:
Base-Base interactions energy: -988.976
where: short stacking energy: -449.461
Base-Backbone interact. energy: 0.423
local terms energy: -477.190684
where:
bonds (distance) C4'-P energy: -82.480
bonds (distance) P-C4' energy: -103.240
flat angles C4'-P-C4' energy: -105.416
flat angles P-C4'-P energy: -67.939
tors. eta vs tors. theta energy: -118.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1403.618817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.618817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.618817 (E_RNA)
where:
Base-Base interactions energy: -965.324
where: short stacking energy: -391.405
Base-Backbone interact. energy: 3.014
local terms energy: -441.308716
where:
bonds (distance) C4'-P energy: -79.316
bonds (distance) P-C4' energy: -84.106
flat angles C4'-P-C4' energy: -98.867
flat angles P-C4'-P energy: -60.629
tors. eta vs tors. theta energy: -118.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1228.575620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.575620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.575620 (E_RNA)
where:
Base-Base interactions energy: -846.463
where: short stacking energy: -359.544
Base-Backbone interact. energy: -0.382
local terms energy: -381.730747
where:
bonds (distance) C4'-P energy: -88.706
bonds (distance) P-C4' energy: -81.679
flat angles C4'-P-C4' energy: -83.593
flat angles P-C4'-P energy: -46.378
tors. eta vs tors. theta energy: -81.375
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: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -943.698107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.698107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.698107 (E_RNA)
where:
Base-Base interactions energy: -598.748
where: short stacking energy: -274.101
Base-Backbone interact. energy: -0.158
local terms energy: -344.791831
where:
bonds (distance) C4'-P energy: -75.475
bonds (distance) P-C4' energy: -83.818
flat angles C4'-P-C4' energy: -82.542
flat angles P-C4'-P energy: -50.170
tors. eta vs tors. theta energy: -52.787
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: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -686.849623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.849623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.849623 (E_RNA)
where:
Base-Base interactions energy: -372.140
where: short stacking energy: -207.209
Base-Backbone interact. energy: -1.904
local terms energy: -312.804947
where:
bonds (distance) C4'-P energy: -80.085
bonds (distance) P-C4' energy: -83.459
flat angles C4'-P-C4' energy: -91.967
flat angles P-C4'-P energy: -45.343
tors. eta vs tors. theta energy: -11.951
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: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1864.061079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.061079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.061079 (E_RNA)
where:
Base-Base interactions energy: -1325.216
where: short stacking energy: -528.058
Base-Backbone interact. energy: -1.943
local terms energy: -536.901553
where:
bonds (distance) C4'-P energy: -88.110
bonds (distance) P-C4' energy: -100.456
flat angles C4'-P-C4' energy: -119.550
flat angles P-C4'-P energy: -87.873
tors. eta vs tors. theta energy: -140.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1737.060988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.060988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.060988 (E_RNA)
where:
Base-Base interactions energy: -1241.456
where: short stacking energy: -499.438
Base-Backbone interact. energy: -1.359
local terms energy: -494.245842
where:
bonds (distance) C4'-P energy: -100.749
bonds (distance) P-C4' energy: -92.523
flat angles C4'-P-C4' energy: -101.171
flat angles P-C4'-P energy: -65.716
tors. eta vs tors. theta energy: -134.086
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: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1702.301234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.301234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.301234 (E_RNA)
where:
Base-Base interactions energy: -1193.195
where: short stacking energy: -469.631
Base-Backbone interact. energy: 3.630
local terms energy: -512.736196
where:
bonds (distance) C4'-P energy: -94.612
bonds (distance) P-C4' energy: -110.936
flat angles C4'-P-C4' energy: -111.492
flat angles P-C4'-P energy: -63.871
tors. eta vs tors. theta energy: -131.826
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: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1593.961954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.961954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.961954 (E_RNA)
where:
Base-Base interactions energy: -1128.300
where: short stacking energy: -459.048
Base-Backbone interact. energy: -0.039
local terms energy: -465.622789
where:
bonds (distance) C4'-P energy: -87.382
bonds (distance) P-C4' energy: -88.717
flat angles C4'-P-C4' energy: -105.475
flat angles P-C4'-P energy: -62.745
tors. eta vs tors. theta energy: -121.303
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: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1609.396038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.396038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.396038 (E_RNA)
where:
Base-Base interactions energy: -1160.328
where: short stacking energy: -474.541
Base-Backbone interact. energy: 2.610
local terms energy: -451.677589
where:
bonds (distance) C4'-P energy: -93.414
bonds (distance) P-C4' energy: -97.545
flat angles C4'-P-C4' energy: -95.177
flat angles P-C4'-P energy: -58.822
tors. eta vs tors. theta energy: -106.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1487.842731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.842731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.842731 (E_RNA)
where:
Base-Base interactions energy: -1035.806
where: short stacking energy: -430.757
Base-Backbone interact. energy: -1.497
local terms energy: -450.539496
where:
bonds (distance) C4'-P energy: -78.982
bonds (distance) P-C4' energy: -85.919
flat angles C4'-P-C4' energy: -106.877
flat angles P-C4'-P energy: -67.337
tors. eta vs tors. theta energy: -111.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1400.957902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.957902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.957902 (E_RNA)
where:
Base-Base interactions energy: -991.713
where: short stacking energy: -420.466
Base-Backbone interact. energy: -2.778
local terms energy: -406.466047
where:
bonds (distance) C4'-P energy: -71.304
bonds (distance) P-C4' energy: -83.269
flat angles C4'-P-C4' energy: -90.314
flat angles P-C4'-P energy: -60.525
tors. eta vs tors. theta energy: -101.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1229.730444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.730444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.730444 (E_RNA)
where:
Base-Base interactions energy: -846.464
where: short stacking energy: -368.088
Base-Backbone interact. energy: -0.807
local terms energy: -382.459513
where:
bonds (distance) C4'-P energy: -96.117
bonds (distance) P-C4' energy: -83.747
flat angles C4'-P-C4' energy: -79.466
flat angles P-C4'-P energy: -54.288
tors. eta vs tors. theta energy: -68.842
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: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -899.902345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.902345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.902345 (E_RNA)
where:
Base-Base interactions energy: -575.644
where: short stacking energy: -267.533
Base-Backbone interact. energy: 1.832
local terms energy: -326.090557
where:
bonds (distance) C4'-P energy: -82.586
bonds (distance) P-C4' energy: -63.067
flat angles C4'-P-C4' energy: -78.586
flat angles P-C4'-P energy: -61.987
tors. eta vs tors. theta energy: -39.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -661.288964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.288964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.288964 (E_RNA)
where:
Base-Base interactions energy: -380.360
where: short stacking energy: -190.204
Base-Backbone interact. energy: -1.617
local terms energy: -279.312497
where:
bonds (distance) C4'-P energy: -80.949
bonds (distance) P-C4' energy: -78.782
flat angles C4'-P-C4' energy: -62.386
flat angles P-C4'-P energy: -52.389
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1851.091691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.091691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.091691 (E_RNA)
where:
Base-Base interactions energy: -1308.092
where: short stacking energy: -506.131
Base-Backbone interact. energy: -3.106
local terms energy: -539.893201
where:
bonds (distance) C4'-P energy: -93.458
bonds (distance) P-C4' energy: -104.311
flat angles C4'-P-C4' energy: -117.633
flat angles P-C4'-P energy: -83.181
tors. eta vs tors. theta energy: -141.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1781.269712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.269712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.269712 (E_RNA)
where:
Base-Base interactions energy: -1238.167
where: short stacking energy: -503.229
Base-Backbone interact. energy: -4.105
local terms energy: -538.997999
where:
bonds (distance) C4'-P energy: -104.600
bonds (distance) P-C4' energy: -101.574
flat angles C4'-P-C4' energy: -123.609
flat angles P-C4'-P energy: -76.594
tors. eta vs tors. theta energy: -132.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1707.674510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.674510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.674510 (E_RNA)
where:
Base-Base interactions energy: -1206.024
where: short stacking energy: -477.679
Base-Backbone interact. energy: -3.888
local terms energy: -497.762410
where:
bonds (distance) C4'-P energy: -94.056
bonds (distance) P-C4' energy: -103.294
flat angles C4'-P-C4' energy: -108.770
flat angles P-C4'-P energy: -69.348
tors. eta vs tors. theta energy: -122.295
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: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1610.625620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.625620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.625620 (E_RNA)
where:
Base-Base interactions energy: -1136.105
where: short stacking energy: -462.406
Base-Backbone interact. energy: -2.672
local terms energy: -471.848941
where:
bonds (distance) C4'-P energy: -90.936
bonds (distance) P-C4' energy: -91.714
flat angles C4'-P-C4' energy: -104.873
flat angles P-C4'-P energy: -63.119
tors. eta vs tors. theta energy: -121.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1639.806349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.806349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.806349 (E_RNA)
where:
Base-Base interactions energy: -1145.512
where: short stacking energy: -450.932
Base-Backbone interact. energy: -1.431
local terms energy: -492.863524
where:
bonds (distance) C4'-P energy: -94.562
bonds (distance) P-C4' energy: -109.149
flat angles C4'-P-C4' energy: -104.816
flat angles P-C4'-P energy: -68.353
tors. eta vs tors. theta energy: -115.983
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: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1516.125102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.125102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.125102 (E_RNA)
where:
Base-Base interactions energy: -1039.256
where: short stacking energy: -435.083
Base-Backbone interact. energy: 0.875
local terms energy: -477.744139
where:
bonds (distance) C4'-P energy: -84.583
bonds (distance) P-C4' energy: -99.060
flat angles C4'-P-C4' energy: -102.203
flat angles P-C4'-P energy: -73.926
tors. eta vs tors. theta energy: -117.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1382.151257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.151257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.151257 (E_RNA)
where:
Base-Base interactions energy: -938.589
where: short stacking energy: -397.178
Base-Backbone interact. energy: 0.459
local terms energy: -444.020801
where:
bonds (distance) C4'-P energy: -99.196
bonds (distance) P-C4' energy: -95.952
flat angles C4'-P-C4' energy: -89.655
flat angles P-C4'-P energy: -65.685
tors. eta vs tors. theta energy: -93.533
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: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1249.757587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.757587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.757587 (E_RNA)
where:
Base-Base interactions energy: -842.815
where: short stacking energy: -354.837
Base-Backbone interact. energy: 0.146
local terms energy: -407.089051
where:
bonds (distance) C4'-P energy: -88.383
bonds (distance) P-C4' energy: -76.973
flat angles C4'-P-C4' energy: -101.280
flat angles P-C4'-P energy: -55.529
tors. eta vs tors. theta energy: -84.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -919.481389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.481389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.481389 (E_RNA)
where:
Base-Base interactions energy: -579.075
where: short stacking energy: -262.488
Base-Backbone interact. energy: 4.763
local terms energy: -345.168910
where:
bonds (distance) C4'-P energy: -88.875
bonds (distance) P-C4' energy: -88.199
flat angles C4'-P-C4' energy: -74.366
flat angles P-C4'-P energy: -37.114
tors. eta vs tors. theta energy: -56.615
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: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -678.350716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.350716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.350716 (E_RNA)
where:
Base-Base interactions energy: -395.659
where: short stacking energy: -211.328
Base-Backbone interact. energy: -3.066
local terms energy: -279.624842
where:
bonds (distance) C4'-P energy: -63.187
bonds (distance) P-C4' energy: -84.366
flat angles C4'-P-C4' energy: -86.011
flat angles P-C4'-P energy: -35.835
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1874.737167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.737167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.737167 (E_RNA)
where:
Base-Base interactions energy: -1320.707
where: short stacking energy: -518.603
Base-Backbone interact. energy: -3.619
local terms energy: -550.411028
where:
bonds (distance) C4'-P energy: -112.153
bonds (distance) P-C4' energy: -99.569
flat angles C4'-P-C4' energy: -120.830
flat angles P-C4'-P energy: -77.525
tors. eta vs tors. theta energy: -140.333
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: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1773.933108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.933108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.933108 (E_RNA)
where:
Base-Base interactions energy: -1275.384
where: short stacking energy: -514.137
Base-Backbone interact. energy: -3.755
local terms energy: -494.793805
where:
bonds (distance) C4'-P energy: -84.677
bonds (distance) P-C4' energy: -99.479
flat angles C4'-P-C4' energy: -105.244
flat angles P-C4'-P energy: -69.091
tors. eta vs tors. theta energy: -136.303
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: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1670.542066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.542066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.542066 (E_RNA)
where:
Base-Base interactions energy: -1179.755
where: short stacking energy: -480.930
Base-Backbone interact. energy: -2.696
local terms energy: -488.090828
where:
bonds (distance) C4'-P energy: -81.011
bonds (distance) P-C4' energy: -100.249
flat angles C4'-P-C4' energy: -111.968
flat angles P-C4'-P energy: -66.184
tors. eta vs tors. theta energy: -128.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1628.878781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.878781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.878781 (E_RNA)
where:
Base-Base interactions energy: -1140.740
where: short stacking energy: -488.504
Base-Backbone interact. energy: -2.180
local terms energy: -485.958678
where:
bonds (distance) C4'-P energy: -88.315
bonds (distance) P-C4' energy: -86.591
flat angles C4'-P-C4' energy: -106.280
flat angles P-C4'-P energy: -70.172
tors. eta vs tors. theta energy: -134.600
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: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1601.203625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.203625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.203625 (E_RNA)
where:
Base-Base interactions energy: -1132.617
where: short stacking energy: -439.198
Base-Backbone interact. energy: -0.828
local terms energy: -467.758523
where:
bonds (distance) C4'-P energy: -79.486
bonds (distance) P-C4' energy: -92.927
flat angles C4'-P-C4' energy: -118.599
flat angles P-C4'-P energy: -60.208
tors. eta vs tors. theta energy: -116.538
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: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1508.749869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.749869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.749869 (E_RNA)
where:
Base-Base interactions energy: -1058.766
where: short stacking energy: -459.438
Base-Backbone interact. energy: 2.925
local terms energy: -452.908644
where:
bonds (distance) C4'-P energy: -92.147
bonds (distance) P-C4' energy: -92.024
flat angles C4'-P-C4' energy: -85.551
flat angles P-C4'-P energy: -59.312
tors. eta vs tors. theta energy: -123.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1364.646718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.646718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.646718 (E_RNA)
where:
Base-Base interactions energy: -953.193
where: short stacking energy: -385.177
Base-Backbone interact. energy: -4.091
local terms energy: -407.362997
where:
bonds (distance) C4'-P energy: -75.632
bonds (distance) P-C4' energy: -83.727
flat angles C4'-P-C4' energy: -93.918
flat angles P-C4'-P energy: -60.160
tors. eta vs tors. theta energy: -93.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1237.332257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.332257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.332257 (E_RNA)
where:
Base-Base interactions energy: -844.137
where: short stacking energy: -357.132
Base-Backbone interact. energy: -3.484
local terms energy: -389.710427
where:
bonds (distance) C4'-P energy: -62.896
bonds (distance) P-C4' energy: -86.697
flat angles C4'-P-C4' energy: -99.097
flat angles P-C4'-P energy: -56.409
tors. eta vs tors. theta energy: -84.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -903.936684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.936684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.936684 (E_RNA)
where:
Base-Base interactions energy: -571.033
where: short stacking energy: -244.762
Base-Backbone interact. energy: -2.136
local terms energy: -330.767595
where:
bonds (distance) C4'-P energy: -79.764
bonds (distance) P-C4' energy: -85.889
flat angles C4'-P-C4' energy: -73.144
flat angles P-C4'-P energy: -50.398
tors. eta vs tors. theta energy: -41.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -639.215142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.215142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.215142 (E_RNA)
where:
Base-Base interactions energy: -358.012
where: short stacking energy: -164.509
Base-Backbone interact. energy: -1.189
local terms energy: -280.013900
where:
bonds (distance) C4'-P energy: -90.365
bonds (distance) P-C4' energy: -75.184
flat angles C4'-P-C4' energy: -62.863
flat angles P-C4'-P energy: -48.086
tors. eta vs tors. theta energy: -3.516
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: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1862.823207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.823207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.823207 (E_RNA)
where:
Base-Base interactions energy: -1301.228
where: short stacking energy: -507.963
Base-Backbone interact. energy: -4.067
local terms energy: -557.528078
where:
bonds (distance) C4'-P energy: -100.283
bonds (distance) P-C4' energy: -103.153
flat angles C4'-P-C4' energy: -123.384
flat angles P-C4'-P energy: -90.061
tors. eta vs tors. theta energy: -140.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1781.839018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.839018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.839018 (E_RNA)
where:
Base-Base interactions energy: -1254.532
where: short stacking energy: -486.237
Base-Backbone interact. energy: -0.979
local terms energy: -526.327596
where:
bonds (distance) C4'-P energy: -100.996
bonds (distance) P-C4' energy: -107.621
flat angles C4'-P-C4' energy: -112.859
flat angles P-C4'-P energy: -71.904
tors. eta vs tors. theta energy: -132.948
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: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1729.831402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.831402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.831402 (E_RNA)
where:
Base-Base interactions energy: -1218.579
where: short stacking energy: -502.749
Base-Backbone interact. energy: -0.944
local terms energy: -510.309033
where:
bonds (distance) C4'-P energy: -87.564
bonds (distance) P-C4' energy: -91.702
flat angles C4'-P-C4' energy: -117.247
flat angles P-C4'-P energy: -81.150
tors. eta vs tors. theta energy: -132.645
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: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1601.677491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.677491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.677491 (E_RNA)
where:
Base-Base interactions energy: -1123.165
where: short stacking energy: -447.261
Base-Backbone interact. energy: -3.958
local terms energy: -474.554964
where:
bonds (distance) C4'-P energy: -93.932
bonds (distance) P-C4' energy: -96.704
flat angles C4'-P-C4' energy: -106.727
flat angles P-C4'-P energy: -67.268
tors. eta vs tors. theta energy: -109.923
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: 170
Temperature: 1.100000
Total energy: -1617.754756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.754756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.754756 (E_RNA)
where:
Base-Base interactions energy: -1151.033
where: short stacking energy: -467.934
Base-Backbone interact. energy: 5.757
local terms energy: -472.479451
where:
bonds (distance) C4'-P energy: -79.762
bonds (distance) P-C4' energy: -96.333
flat angles C4'-P-C4' energy: -107.294
flat angles P-C4'-P energy: -73.168
tors. eta vs tors. theta energy: -115.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1514.163202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.163202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.163202 (E_RNA)
where:
Base-Base interactions energy: -1039.620
where: short stacking energy: -433.666
Base-Backbone interact. energy: -4.438
local terms energy: -470.105012
where:
bonds (distance) C4'-P energy: -90.977
bonds (distance) P-C4' energy: -91.762
flat angles C4'-P-C4' energy: -96.023
flat angles P-C4'-P energy: -73.014
tors. eta vs tors. theta energy: -118.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1440.030901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.030901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.030901 (E_RNA)
where:
Base-Base interactions energy: -1022.562
where: short stacking energy: -422.267
Base-Backbone interact. energy: 2.064
local terms energy: -419.533017
where:
bonds (distance) C4'-P energy: -75.108
bonds (distance) P-C4' energy: -93.839
flat angles C4'-P-C4' energy: -97.458
flat angles P-C4'-P energy: -56.483
tors. eta vs tors. theta energy: -96.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1145.146513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.146513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.146513 (E_RNA)
where:
Base-Base interactions energy: -765.982
where: short stacking energy: -327.681
Base-Backbone interact. energy: -2.656
local terms energy: -376.508741
where:
bonds (distance) C4'-P energy: -78.886
bonds (distance) P-C4' energy: -81.238
flat angles C4'-P-C4' energy: -92.676
flat angles P-C4'-P energy: -61.729
tors. eta vs tors. theta energy: -61.981
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: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -946.979053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.979053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.979053 (E_RNA)
where:
Base-Base interactions energy: -582.576
where: short stacking energy: -272.908
Base-Backbone interact. energy: -1.431
local terms energy: -362.971971
where:
bonds (distance) C4'-P energy: -80.535
bonds (distance) P-C4' energy: -81.267
flat angles C4'-P-C4' energy: -88.083
flat angles P-C4'-P energy: -62.052
tors. eta vs tors. theta energy: -51.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -668.322311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.322311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.322311 (E_RNA)
where:
Base-Base interactions energy: -368.070
where: short stacking energy: -195.229
Base-Backbone interact. energy: 2.837
local terms energy: -303.089527
where:
bonds (distance) C4'-P energy: -79.645
bonds (distance) P-C4' energy: -83.796
flat angles C4'-P-C4' energy: -82.966
flat angles P-C4'-P energy: -39.641
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1861.714295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.714295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.714295 (E_RNA)
where:
Base-Base interactions energy: -1315.046
where: short stacking energy: -502.157
Base-Backbone interact. energy: -3.667
local terms energy: -543.001573
where:
bonds (distance) C4'-P energy: -107.669
bonds (distance) P-C4' energy: -102.514
flat angles C4'-P-C4' energy: -109.883
flat angles P-C4'-P energy: -71.592
tors. eta vs tors. theta energy: -151.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1758.688602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.688602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.688602 (E_RNA)
where:
Base-Base interactions energy: -1238.987
where: short stacking energy: -485.198
Base-Backbone interact. energy: -1.015
local terms energy: -518.686562
where:
bonds (distance) C4'-P energy: -87.927
bonds (distance) P-C4' energy: -105.945
flat angles C4'-P-C4' energy: -121.516
flat angles P-C4'-P energy: -72.611
tors. eta vs tors. theta energy: -130.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1711.978387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.978387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.978387 (E_RNA)
where:
Base-Base interactions energy: -1212.450
where: short stacking energy: -487.451
Base-Backbone interact. energy: 1.992
local terms energy: -501.519707
where:
bonds (distance) C4'-P energy: -93.589
bonds (distance) P-C4' energy: -97.798
flat angles C4'-P-C4' energy: -108.274
flat angles P-C4'-P energy: -73.593
tors. eta vs tors. theta energy: -128.266
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: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1606.018358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.018358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.018358 (E_RNA)
where:
Base-Base interactions energy: -1119.944
where: short stacking energy: -486.901
Base-Backbone interact. energy: -0.083
local terms energy: -485.991153
where:
bonds (distance) C4'-P energy: -101.555
bonds (distance) P-C4' energy: -91.854
flat angles C4'-P-C4' energy: -111.014
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -128.784
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: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1584.195829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.195829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.195829 (E_RNA)
where:
Base-Base interactions energy: -1095.558
where: short stacking energy: -456.027
Base-Backbone interact. energy: -0.394
local terms energy: -488.243993
where:
bonds (distance) C4'-P energy: -103.129
bonds (distance) P-C4' energy: -98.505
flat angles C4'-P-C4' energy: -107.521
flat angles P-C4'-P energy: -62.595
tors. eta vs tors. theta energy: -116.495
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: 6, replica: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1449.982556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.982556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.982556 (E_RNA)
where:
Base-Base interactions energy: -983.864
where: short stacking energy: -404.062
Base-Backbone interact. energy: -3.596
local terms energy: -462.522369
where:
bonds (distance) C4'-P energy: -80.494
bonds (distance) P-C4' energy: -100.432
flat angles C4'-P-C4' energy: -105.164
flat angles P-C4'-P energy: -79.438
tors. eta vs tors. theta energy: -96.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1382.014251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.014251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.014251 (E_RNA)
where:
Base-Base interactions energy: -937.798
where: short stacking energy: -381.666
Base-Backbone interact. energy: 7.355
local terms energy: -451.571179
where:
bonds (distance) C4'-P energy: -100.167
bonds (distance) P-C4' energy: -91.721
flat angles C4'-P-C4' energy: -107.108
flat angles P-C4'-P energy: -64.642
tors. eta vs tors. theta energy: -87.933
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: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1196.699679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.699679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.699679 (E_RNA)
where:
Base-Base interactions energy: -777.228
where: short stacking energy: -342.469
Base-Backbone interact. energy: 1.115
local terms energy: -420.586703
where:
bonds (distance) C4'-P energy: -95.760
bonds (distance) P-C4' energy: -83.908
flat angles C4'-P-C4' energy: -107.743
flat angles P-C4'-P energy: -77.113
tors. eta vs tors. theta energy: -56.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -950.595707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.595707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.595707 (E_RNA)
where:
Base-Base interactions energy: -601.708
where: short stacking energy: -284.757
Base-Backbone interact. energy: -0.395
local terms energy: -348.492107
where:
bonds (distance) C4'-P energy: -76.125
bonds (distance) P-C4' energy: -83.627
flat angles C4'-P-C4' energy: -88.131
flat angles P-C4'-P energy: -54.363
tors. eta vs tors. theta energy: -46.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -743.445924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.445924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.445924 (E_RNA)
where:
Base-Base interactions energy: -425.063
where: short stacking energy: -209.985
Base-Backbone interact. energy: 2.348
local terms energy: -320.730866
where:
bonds (distance) C4'-P energy: -95.753
bonds (distance) P-C4' energy: -100.729
flat angles C4'-P-C4' energy: -71.319
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1853.906141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.906141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.906141 (E_RNA)
where:
Base-Base interactions energy: -1320.528
where: short stacking energy: -500.317
Base-Backbone interact. energy: -2.320
local terms energy: -531.058626
where:
bonds (distance) C4'-P energy: -103.216
bonds (distance) P-C4' energy: -98.067
flat angles C4'-P-C4' energy: -106.496
flat angles P-C4'-P energy: -89.554
tors. eta vs tors. theta energy: -133.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1727.780877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.780877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.780877 (E_RNA)
where:
Base-Base interactions energy: -1220.712
where: short stacking energy: -471.765
Base-Backbone interact. energy: -4.168
local terms energy: -502.901792
where:
bonds (distance) C4'-P energy: -94.014
bonds (distance) P-C4' energy: -103.644
flat angles C4'-P-C4' energy: -110.935
flat angles P-C4'-P energy: -64.321
tors. eta vs tors. theta energy: -129.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1684.156009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.156009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.156009 (E_RNA)
where:
Base-Base interactions energy: -1205.709
where: short stacking energy: -474.219
Base-Backbone interact. energy: -4.730
local terms energy: -473.717026
where:
bonds (distance) C4'-P energy: -97.599
bonds (distance) P-C4' energy: -78.207
flat angles C4'-P-C4' energy: -102.328
flat angles P-C4'-P energy: -67.815
tors. eta vs tors. theta energy: -127.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1632.421777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.421777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.421777 (E_RNA)
where:
Base-Base interactions energy: -1138.024
where: short stacking energy: -454.651
Base-Backbone interact. energy: -1.978
local terms energy: -492.419962
where:
bonds (distance) C4'-P energy: -90.126
bonds (distance) P-C4' energy: -93.244
flat angles C4'-P-C4' energy: -107.241
flat angles P-C4'-P energy: -82.405
tors. eta vs tors. theta energy: -119.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1580.435198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.435198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.435198 (E_RNA)
where:
Base-Base interactions energy: -1129.796
where: short stacking energy: -440.382
Base-Backbone interact. energy: -2.012
local terms energy: -448.626898
where:
bonds (distance) C4'-P energy: -82.258
bonds (distance) P-C4' energy: -87.517
flat angles C4'-P-C4' energy: -100.991
flat angles P-C4'-P energy: -71.954
tors. eta vs tors. theta energy: -105.907
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: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1449.531935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.531935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.531935 (E_RNA)
where:
Base-Base interactions energy: -1012.634
where: short stacking energy: -408.368
Base-Backbone interact. energy: -1.083
local terms energy: -435.815830
where:
bonds (distance) C4'-P energy: -92.042
bonds (distance) P-C4' energy: -83.949
flat angles C4'-P-C4' energy: -105.083
flat angles P-C4'-P energy: -55.135
tors. eta vs tors. theta energy: -99.607
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: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1374.312260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.312260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.312260 (E_RNA)
where:
Base-Base interactions energy: -964.364
where: short stacking energy: -383.708
Base-Backbone interact. energy: 6.161
local terms energy: -416.108691
where:
bonds (distance) C4'-P energy: -76.064
bonds (distance) P-C4' energy: -90.545
flat angles C4'-P-C4' energy: -93.947
flat angles P-C4'-P energy: -55.464
tors. eta vs tors. theta energy: -100.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1148.511804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.511804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.511804 (E_RNA)
where:
Base-Base interactions energy: -791.572
where: short stacking energy: -326.994
Base-Backbone interact. energy: 1.714
local terms energy: -358.653880
where:
bonds (distance) C4'-P energy: -72.134
bonds (distance) P-C4' energy: -81.993
flat angles C4'-P-C4' energy: -81.790
flat angles P-C4'-P energy: -58.925
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: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -914.170951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.170951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.170951 (E_RNA)
where:
Base-Base interactions energy: -592.253
where: short stacking energy: -288.981
Base-Backbone interact. energy: 0.959
local terms energy: -322.877004
where:
bonds (distance) C4'-P energy: -63.733
bonds (distance) P-C4' energy: -80.452
flat angles C4'-P-C4' energy: -87.351
flat angles P-C4'-P energy: -48.403
tors. eta vs tors. theta energy: -42.938
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: 172
Temperature: 1.350000
Total energy: -654.720914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.720914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.720914 (E_RNA)
where:
Base-Base interactions energy: -360.872
where: short stacking energy: -158.882
Base-Backbone interact. energy: 0.494
local terms energy: -294.342380
where:
bonds (distance) C4'-P energy: -87.316
bonds (distance) P-C4' energy: -91.858
flat angles C4'-P-C4' energy: -74.470
flat angles P-C4'-P energy: -42.048
tors. eta vs tors. theta energy: 1.349
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: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1847.763111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.763111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.763111 (E_RNA)
where:
Base-Base interactions energy: -1321.953
where: short stacking energy: -505.655
Base-Backbone interact. energy: -4.856
local terms energy: -520.953856
where:
bonds (distance) C4'-P energy: -88.151
bonds (distance) P-C4' energy: -106.986
flat angles C4'-P-C4' energy: -115.148
flat angles P-C4'-P energy: -73.797
tors. eta vs tors. theta energy: -136.871
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: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1758.301846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.301846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.301846 (E_RNA)
where:
Base-Base interactions energy: -1227.949
where: short stacking energy: -513.676
Base-Backbone interact. energy: -4.070
local terms energy: -526.283126
where:
bonds (distance) C4'-P energy: -103.013
bonds (distance) P-C4' energy: -87.908
flat angles C4'-P-C4' energy: -116.237
flat angles P-C4'-P energy: -84.587
tors. eta vs tors. theta energy: -134.538
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: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1723.884763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.884763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.884763 (E_RNA)
where:
Base-Base interactions energy: -1199.717
where: short stacking energy: -490.237
Base-Backbone interact. energy: -3.540
local terms energy: -520.627517
where:
bonds (distance) C4'-P energy: -93.789
bonds (distance) P-C4' energy: -102.670
flat angles C4'-P-C4' energy: -113.990
flat angles P-C4'-P energy: -73.873
tors. eta vs tors. theta energy: -136.305
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: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1608.772930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.772930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.772930 (E_RNA)
where:
Base-Base interactions energy: -1127.285
where: short stacking energy: -464.101
Base-Backbone interact. energy: -2.242
local terms energy: -479.245799
where:
bonds (distance) C4'-P energy: -95.194
bonds (distance) P-C4' energy: -85.457
flat angles C4'-P-C4' energy: -106.846
flat angles P-C4'-P energy: -71.187
tors. eta vs tors. theta energy: -120.562
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: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1550.149690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.149690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.149690 (E_RNA)
where:
Base-Base interactions energy: -1090.536
where: short stacking energy: -437.917
Base-Backbone interact. energy: -0.140
local terms energy: -459.474341
where:
bonds (distance) C4'-P energy: -71.945
bonds (distance) P-C4' energy: -92.691
flat angles C4'-P-C4' energy: -107.345
flat angles P-C4'-P energy: -75.612
tors. eta vs tors. theta energy: -111.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1485.338586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.338586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.338586 (E_RNA)
where:
Base-Base interactions energy: -1010.998
where: short stacking energy: -414.655
Base-Backbone interact. energy: -2.349
local terms energy: -471.991721
where:
bonds (distance) C4'-P energy: -100.297
bonds (distance) P-C4' energy: -80.092
flat angles C4'-P-C4' energy: -109.350
flat angles P-C4'-P energy: -73.938
tors. eta vs tors. theta energy: -108.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1422.286134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.286134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.286134 (E_RNA)
where:
Base-Base interactions energy: -992.282
where: short stacking energy: -422.430
Base-Backbone interact. energy: -2.186
local terms energy: -427.818581
where:
bonds (distance) C4'-P energy: -87.404
bonds (distance) P-C4' energy: -82.103
flat angles C4'-P-C4' energy: -90.828
flat angles P-C4'-P energy: -57.709
tors. eta vs tors. theta energy: -109.774
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: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1121.827997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.827997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.827997 (E_RNA)
where:
Base-Base interactions energy: -757.141
where: short stacking energy: -336.526
Base-Backbone interact. energy: -0.887
local terms energy: -363.800162
where:
bonds (distance) C4'-P energy: -73.750
bonds (distance) P-C4' energy: -74.486
flat angles C4'-P-C4' energy: -90.013
flat angles P-C4'-P energy: -52.111
tors. eta vs tors. theta energy: -73.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -915.393339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.393339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.393339 (E_RNA)
where:
Base-Base interactions energy: -558.380
where: short stacking energy: -273.594
Base-Backbone interact. energy: 1.426
local terms energy: -358.439679
where:
bonds (distance) C4'-P energy: -69.684
bonds (distance) P-C4' energy: -95.694
flat angles C4'-P-C4' energy: -83.725
flat angles P-C4'-P energy: -52.914
tors. eta vs tors. theta energy: -56.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -658.482681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.482681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.482681 (E_RNA)
where:
Base-Base interactions energy: -384.387
where: short stacking energy: -202.043
Base-Backbone interact. energy: 1.093
local terms energy: -275.188942
where:
bonds (distance) C4'-P energy: -77.999
bonds (distance) P-C4' energy: -82.877
flat angles C4'-P-C4' energy: -67.280
flat angles P-C4'-P energy: -38.448
tors. eta vs tors. theta energy: -8.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1851.133522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.133522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.133522 (E_RNA)
where:
Base-Base interactions energy: -1300.078
where: short stacking energy: -498.935
Base-Backbone interact. energy: -5.512
local terms energy: -545.542867
where:
bonds (distance) C4'-P energy: -110.125
bonds (distance) P-C4' energy: -110.694
flat angles C4'-P-C4' energy: -106.829
flat angles P-C4'-P energy: -81.882
tors. eta vs tors. theta energy: -136.013
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: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1776.210318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.210318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.210318 (E_RNA)
where:
Base-Base interactions energy: -1263.460
where: short stacking energy: -508.677
Base-Backbone interact. energy: -4.081
local terms energy: -508.670128
where:
bonds (distance) C4'-P energy: -90.759
bonds (distance) P-C4' energy: -100.579
flat angles C4'-P-C4' energy: -109.075
flat angles P-C4'-P energy: -71.534
tors. eta vs tors. theta energy: -136.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1692.390919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.390919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.390919 (E_RNA)
where:
Base-Base interactions energy: -1197.647
where: short stacking energy: -488.453
Base-Backbone interact. energy: 5.990
local terms energy: -500.734468
where:
bonds (distance) C4'-P energy: -105.361
bonds (distance) P-C4' energy: -86.451
flat angles C4'-P-C4' energy: -98.362
flat angles P-C4'-P energy: -74.316
tors. eta vs tors. theta energy: -136.245
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: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1634.605446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.605446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.605446 (E_RNA)
where:
Base-Base interactions energy: -1141.792
where: short stacking energy: -483.055
Base-Backbone interact. energy: -1.429
local terms energy: -491.384628
where:
bonds (distance) C4'-P energy: -82.215
bonds (distance) P-C4' energy: -91.978
flat angles C4'-P-C4' energy: -109.989
flat angles P-C4'-P energy: -73.011
tors. eta vs tors. theta energy: -134.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1572.546816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.546816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.546816 (E_RNA)
where:
Base-Base interactions energy: -1115.543
where: short stacking energy: -448.236
Base-Backbone interact. energy: -2.456
local terms energy: -454.547411
where:
bonds (distance) C4'-P energy: -84.684
bonds (distance) P-C4' energy: -93.479
flat angles C4'-P-C4' energy: -105.899
flat angles P-C4'-P energy: -59.794
tors. eta vs tors. theta energy: -110.691
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: 174
Temperature: 1.150000
Total energy: -1507.217724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.217724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.217724 (E_RNA)
where:
Base-Base interactions energy: -1053.152
where: short stacking energy: -431.050
Base-Backbone interact. energy: -2.352
local terms energy: -451.713050
where:
bonds (distance) C4'-P energy: -94.645
bonds (distance) P-C4' energy: -89.151
flat angles C4'-P-C4' energy: -96.851
flat angles P-C4'-P energy: -66.473
tors. eta vs tors. theta energy: -104.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1377.904118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.904118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.904118 (E_RNA)
where:
Base-Base interactions energy: -939.808
where: short stacking energy: -410.280
Base-Backbone interact. energy: -0.569
local terms energy: -437.527799
where:
bonds (distance) C4'-P energy: -86.630
bonds (distance) P-C4' energy: -89.077
flat angles C4'-P-C4' energy: -95.185
flat angles P-C4'-P energy: -57.536
tors. eta vs tors. theta energy: -109.100
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: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1092.387362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.387362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.387362 (E_RNA)
where:
Base-Base interactions energy: -720.326
where: short stacking energy: -312.135
Base-Backbone interact. energy: 2.173
local terms energy: -374.234233
where:
bonds (distance) C4'-P energy: -81.973
bonds (distance) P-C4' energy: -95.810
flat angles C4'-P-C4' energy: -98.805
flat angles P-C4'-P energy: -38.592
tors. eta vs tors. theta energy: -59.054
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: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -905.305559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.305559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.305559 (E_RNA)
where:
Base-Base interactions energy: -559.873
where: short stacking energy: -259.009
Base-Backbone interact. energy: 2.505
local terms energy: -347.937359
where:
bonds (distance) C4'-P energy: -75.364
bonds (distance) P-C4' energy: -74.491
flat angles C4'-P-C4' energy: -100.282
flat angles P-C4'-P energy: -47.807
tors. eta vs tors. theta energy: -49.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -668.134780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.134780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.134780 (E_RNA)
where:
Base-Base interactions energy: -357.417
where: short stacking energy: -203.230
Base-Backbone interact. energy: 2.945
local terms energy: -313.663426
where:
bonds (distance) C4'-P energy: -77.562
bonds (distance) P-C4' energy: -81.981
flat angles C4'-P-C4' energy: -77.849
flat angles P-C4'-P energy: -57.555
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1844.092451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.092451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.092451 (E_RNA)
where:
Base-Base interactions energy: -1317.753
where: short stacking energy: -520.082
Base-Backbone interact. energy: -4.523
local terms energy: -521.816362
where:
bonds (distance) C4'-P energy: -87.619
bonds (distance) P-C4' energy: -105.401
flat angles C4'-P-C4' energy: -118.333
flat angles P-C4'-P energy: -81.268
tors. eta vs tors. theta energy: -129.195
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: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1761.672258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.672258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.672258 (E_RNA)
where:
Base-Base interactions energy: -1244.636
where: short stacking energy: -503.535
Base-Backbone interact. energy: -5.238
local terms energy: -511.798395
where:
bonds (distance) C4'-P energy: -94.107
bonds (distance) P-C4' energy: -97.449
flat angles C4'-P-C4' energy: -111.662
flat angles P-C4'-P energy: -79.079
tors. eta vs tors. theta energy: -129.502
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: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1757.611921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.611921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.611921 (E_RNA)
where:
Base-Base interactions energy: -1247.330
where: short stacking energy: -519.994
Base-Backbone interact. energy: -1.991
local terms energy: -508.291058
where:
bonds (distance) C4'-P energy: -98.160
bonds (distance) P-C4' energy: -82.324
flat angles C4'-P-C4' energy: -110.334
flat angles P-C4'-P energy: -74.905
tors. eta vs tors. theta energy: -142.569
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: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1581.167840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.167840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.167840 (E_RNA)
where:
Base-Base interactions energy: -1095.221
where: short stacking energy: -456.141
Base-Backbone interact. energy: 1.789
local terms energy: -487.736062
where:
bonds (distance) C4'-P energy: -94.420
bonds (distance) P-C4' energy: -90.081
flat angles C4'-P-C4' energy: -109.603
flat angles P-C4'-P energy: -71.694
tors. eta vs tors. theta energy: -121.938
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: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1578.013811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.013811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.013811 (E_RNA)
where:
Base-Base interactions energy: -1109.363
where: short stacking energy: -457.401
Base-Backbone interact. energy: -1.591
local terms energy: -467.059868
where:
bonds (distance) C4'-P energy: -91.944
bonds (distance) P-C4' energy: -95.356
flat angles C4'-P-C4' energy: -98.604
flat angles P-C4'-P energy: -72.226
tors. eta vs tors. theta energy: -108.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1517.827968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.827968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.827968 (E_RNA)
where:
Base-Base interactions energy: -1052.743
where: short stacking energy: -414.291
Base-Backbone interact. energy: -1.030
local terms energy: -464.055777
where:
bonds (distance) C4'-P energy: -83.270
bonds (distance) P-C4' energy: -86.656
flat angles C4'-P-C4' energy: -106.739
flat angles P-C4'-P energy: -76.318
tors. eta vs tors. theta energy: -111.074
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: 7, replica: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1348.549931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.549931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.549931 (E_RNA)
where:
Base-Base interactions energy: -925.401
where: short stacking energy: -399.129
Base-Backbone interact. energy: -0.891
local terms energy: -422.257959
where:
bonds (distance) C4'-P energy: -87.949
bonds (distance) P-C4' energy: -63.482
flat angles C4'-P-C4' energy: -98.207
flat angles P-C4'-P energy: -73.835
tors. eta vs tors. theta energy: -98.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1133.181807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.181807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.181807 (E_RNA)
where:
Base-Base interactions energy: -778.458
where: short stacking energy: -322.069
Base-Backbone interact. energy: -1.426
local terms energy: -353.297928
where:
bonds (distance) C4'-P energy: -59.961
bonds (distance) P-C4' energy: -82.930
flat angles C4'-P-C4' energy: -86.111
flat angles P-C4'-P energy: -54.359
tors. eta vs tors. theta energy: -69.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -850.269717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.269717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.269717 (E_RNA)
where:
Base-Base interactions energy: -524.039
where: short stacking energy: -240.575
Base-Backbone interact. energy: -0.536
local terms energy: -325.694790
where:
bonds (distance) C4'-P energy: -76.829
bonds (distance) P-C4' energy: -75.556
flat angles C4'-P-C4' energy: -90.650
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -33.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -603.268093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.268093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.268093 (E_RNA)
where:
Base-Base interactions energy: -331.863
where: short stacking energy: -167.448
Base-Backbone interact. energy: -1.249
local terms energy: -270.155892
where:
bonds (distance) C4'-P energy: -64.391
bonds (distance) P-C4' energy: -93.684
flat angles C4'-P-C4' energy: -64.063
flat angles P-C4'-P energy: -49.997
tors. eta vs tors. theta energy: 1.980
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: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1853.921481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.921481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.921481 (E_RNA)
where:
Base-Base interactions energy: -1315.194
where: short stacking energy: -524.506
Base-Backbone interact. energy: -4.619
local terms energy: -534.108274
where:
bonds (distance) C4'-P energy: -101.566
bonds (distance) P-C4' energy: -106.252
flat angles C4'-P-C4' energy: -118.703
flat angles P-C4'-P energy: -64.535
tors. eta vs tors. theta energy: -143.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1786.207489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.207489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.207489 (E_RNA)
where:
Base-Base interactions energy: -1273.519
where: short stacking energy: -495.771
Base-Backbone interact. energy: -0.082
local terms energy: -512.606152
where:
bonds (distance) C4'-P energy: -95.074
bonds (distance) P-C4' energy: -90.116
flat angles C4'-P-C4' energy: -112.474
flat angles P-C4'-P energy: -77.791
tors. eta vs tors. theta energy: -137.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1767.045629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.045629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.045629 (E_RNA)
where:
Base-Base interactions energy: -1237.307
where: short stacking energy: -508.587
Base-Backbone interact. energy: -0.326
local terms energy: -529.413116
where:
bonds (distance) C4'-P energy: -98.686
bonds (distance) P-C4' energy: -96.214
flat angles C4'-P-C4' energy: -109.054
flat angles P-C4'-P energy: -80.169
tors. eta vs tors. theta energy: -145.291
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: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1603.031007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.031007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.031007 (E_RNA)
where:
Base-Base interactions energy: -1107.235
where: short stacking energy: -452.979
Base-Backbone interact. energy: -2.388
local terms energy: -493.407686
where:
bonds (distance) C4'-P energy: -91.039
bonds (distance) P-C4' energy: -98.616
flat angles C4'-P-C4' energy: -108.817
flat angles P-C4'-P energy: -69.216
tors. eta vs tors. theta energy: -125.720
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: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1519.990695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.990695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.990695 (E_RNA)
where:
Base-Base interactions energy: -1074.781
where: short stacking energy: -422.305
Base-Backbone interact. energy: -2.541
local terms energy: -442.669436
where:
bonds (distance) C4'-P energy: -82.031
bonds (distance) P-C4' energy: -76.651
flat angles C4'-P-C4' energy: -106.473
flat angles P-C4'-P energy: -71.406
tors. eta vs tors. theta energy: -106.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1515.989826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.989826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.989826 (E_RNA)
where:
Base-Base interactions energy: -1053.618
where: short stacking energy: -420.941
Base-Backbone interact. energy: -2.240
local terms energy: -460.132402
where:
bonds (distance) C4'-P energy: -82.899
bonds (distance) P-C4' energy: -102.894
flat angles C4'-P-C4' energy: -96.686
flat angles P-C4'-P energy: -63.499
tors. eta vs tors. theta energy: -114.155
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: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1314.548609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.548609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.548609 (E_RNA)
where:
Base-Base interactions energy: -906.804
where: short stacking energy: -355.259
Base-Backbone interact. energy: -2.455
local terms energy: -405.290016
where:
bonds (distance) C4'-P energy: -76.617
bonds (distance) P-C4' energy: -89.086
flat angles C4'-P-C4' energy: -90.417
flat angles P-C4'-P energy: -64.171
tors. eta vs tors. theta energy: -84.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1162.244670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.244670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.244670 (E_RNA)
where:
Base-Base interactions energy: -773.230
where: short stacking energy: -352.325
Base-Backbone interact. energy: -3.018
local terms energy: -385.996072
where:
bonds (distance) C4'-P energy: -83.279
bonds (distance) P-C4' energy: -92.894
flat angles C4'-P-C4' energy: -88.009
flat angles P-C4'-P energy: -54.321
tors. eta vs tors. theta energy: -67.494
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: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -946.760397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.760397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.760397 (E_RNA)
where:
Base-Base interactions energy: -599.914
where: short stacking energy: -265.293
Base-Backbone interact. energy: -3.215
local terms energy: -343.631665
where:
bonds (distance) C4'-P energy: -97.389
bonds (distance) P-C4' energy: -86.297
flat angles C4'-P-C4' energy: -74.184
flat angles P-C4'-P energy: -42.711
tors. eta vs tors. theta energy: -43.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -598.082652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.082652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.082652 (E_RNA)
where:
Base-Base interactions energy: -310.462
where: short stacking energy: -182.199
Base-Backbone interact. energy: 2.228
local terms energy: -289.848563
where:
bonds (distance) C4'-P energy: -72.953
bonds (distance) P-C4' energy: -108.106
flat angles C4'-P-C4' energy: -69.944
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: 4.835
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: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1878.908309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.908309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.908309 (E_RNA)
where:
Base-Base interactions energy: -1327.572
where: short stacking energy: -512.795
Base-Backbone interact. energy: -3.399
local terms energy: -547.937768
where:
bonds (distance) C4'-P energy: -98.202
bonds (distance) P-C4' energy: -107.809
flat angles C4'-P-C4' energy: -115.229
flat angles P-C4'-P energy: -81.331
tors. eta vs tors. theta energy: -145.367
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: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1773.406078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.406078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.406078 (E_RNA)
where:
Base-Base interactions energy: -1258.697
where: short stacking energy: -505.198
Base-Backbone interact. energy: -1.273
local terms energy: -513.436618
where:
bonds (distance) C4'-P energy: -98.094
bonds (distance) P-C4' energy: -102.210
flat angles C4'-P-C4' energy: -101.847
flat angles P-C4'-P energy: -67.532
tors. eta vs tors. theta energy: -143.754
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: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1712.631691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.631691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.631691 (E_RNA)
where:
Base-Base interactions energy: -1214.125
where: short stacking energy: -476.688
Base-Backbone interact. energy: 2.904
local terms energy: -501.410730
where:
bonds (distance) C4'-P energy: -91.537
bonds (distance) P-C4' energy: -101.770
flat angles C4'-P-C4' energy: -106.894
flat angles P-C4'-P energy: -77.047
tors. eta vs tors. theta energy: -124.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1670.187039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.187039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.187039 (E_RNA)
where:
Base-Base interactions energy: -1176.878
where: short stacking energy: -477.560
Base-Backbone interact. energy: 0.852
local terms energy: -494.161398
where:
bonds (distance) C4'-P energy: -89.483
bonds (distance) P-C4' energy: -97.842
flat angles C4'-P-C4' energy: -113.677
flat angles P-C4'-P energy: -69.671
tors. eta vs tors. theta energy: -123.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1578.274980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.274980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.274980 (E_RNA)
where:
Base-Base interactions energy: -1094.347
where: short stacking energy: -456.043
Base-Backbone interact. energy: -0.268
local terms energy: -483.659377
where:
bonds (distance) C4'-P energy: -93.110
bonds (distance) P-C4' energy: -95.976
flat angles C4'-P-C4' energy: -113.210
flat angles P-C4'-P energy: -68.920
tors. eta vs tors. theta energy: -112.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1509.438259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.438259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.438259 (E_RNA)
where:
Base-Base interactions energy: -1060.086
where: short stacking energy: -427.882
Base-Backbone interact. energy: -0.593
local terms energy: -448.759114
where:
bonds (distance) C4'-P energy: -83.997
bonds (distance) P-C4' energy: -101.896
flat angles C4'-P-C4' energy: -94.265
flat angles P-C4'-P energy: -53.984
tors. eta vs tors. theta energy: -114.617
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: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1332.502554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.502554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.502554 (E_RNA)
where:
Base-Base interactions energy: -900.044
where: short stacking energy: -365.883
Base-Backbone interact. energy: -2.301
local terms energy: -430.157826
where:
bonds (distance) C4'-P energy: -96.057
bonds (distance) P-C4' energy: -110.080
flat angles C4'-P-C4' energy: -86.645
flat angles P-C4'-P energy: -56.130
tors. eta vs tors. theta energy: -81.245
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: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1154.919946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.919946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.919946 (E_RNA)
where:
Base-Base interactions energy: -773.867
where: short stacking energy: -332.351
Base-Backbone interact. energy: 3.471
local terms energy: -384.523987
where:
bonds (distance) C4'-P energy: -78.515
bonds (distance) P-C4' energy: -100.102
flat angles C4'-P-C4' energy: -85.955
flat angles P-C4'-P energy: -44.538
tors. eta vs tors. theta energy: -75.414
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: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -941.152131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.152131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.152131 (E_RNA)
where:
Base-Base interactions energy: -594.683
where: short stacking energy: -246.056
Base-Backbone interact. energy: -2.421
local terms energy: -344.048028
where:
bonds (distance) C4'-P energy: -73.758
bonds (distance) P-C4' energy: -88.390
flat angles C4'-P-C4' energy: -84.164
flat angles P-C4'-P energy: -46.325
tors. eta vs tors. theta energy: -51.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -596.769610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.769610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.769610 (E_RNA)
where:
Base-Base interactions energy: -325.561
where: short stacking energy: -159.893
Base-Backbone interact. energy: -0.777
local terms energy: -270.431670
where:
bonds (distance) C4'-P energy: -72.829
bonds (distance) P-C4' energy: -81.053
flat angles C4'-P-C4' energy: -71.258
flat angles P-C4'-P energy: -30.768
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1873.076749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.076749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.076749 (E_RNA)
where:
Base-Base interactions energy: -1341.360
where: short stacking energy: -526.867
Base-Backbone interact. energy: -3.446
local terms energy: -528.271032
where:
bonds (distance) C4'-P energy: -95.454
bonds (distance) P-C4' energy: -114.085
flat angles C4'-P-C4' energy: -107.344
flat angles P-C4'-P energy: -67.397
tors. eta vs tors. theta energy: -143.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1759.083750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.083750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.083750 (E_RNA)
where:
Base-Base interactions energy: -1245.791
where: short stacking energy: -478.834
Base-Backbone interact. energy: -4.064
local terms energy: -509.228355
where:
bonds (distance) C4'-P energy: -92.916
bonds (distance) P-C4' energy: -88.628
flat angles C4'-P-C4' energy: -114.909
flat angles P-C4'-P energy: -82.406
tors. eta vs tors. theta energy: -130.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1715.170361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.170361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.170361 (E_RNA)
where:
Base-Base interactions energy: -1201.152
where: short stacking energy: -508.188
Base-Backbone interact. energy: 1.397
local terms energy: -515.415929
where:
bonds (distance) C4'-P energy: -86.339
bonds (distance) P-C4' energy: -105.788
flat angles C4'-P-C4' energy: -114.784
flat angles P-C4'-P energy: -73.336
tors. eta vs tors. theta energy: -135.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1623.476743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.476743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.476743 (E_RNA)
where:
Base-Base interactions energy: -1117.115
where: short stacking energy: -472.320
Base-Backbone interact. energy: -3.492
local terms energy: -502.869006
where:
bonds (distance) C4'-P energy: -84.660
bonds (distance) P-C4' energy: -111.583
flat angles C4'-P-C4' energy: -109.480
flat angles P-C4'-P energy: -73.930
tors. eta vs tors. theta energy: -123.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1589.373797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.373797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.373797 (E_RNA)
where:
Base-Base interactions energy: -1101.969
where: short stacking energy: -454.570
Base-Backbone interact. energy: -3.871
local terms energy: -483.533925
where:
bonds (distance) C4'-P energy: -100.557
bonds (distance) P-C4' energy: -92.791
flat angles C4'-P-C4' energy: -102.615
flat angles P-C4'-P energy: -75.256
tors. eta vs tors. theta energy: -112.314
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: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1496.761664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.761664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.761664 (E_RNA)
where:
Base-Base interactions energy: -1041.421
where: short stacking energy: -451.142
Base-Backbone interact. energy: 1.824
local terms energy: -457.164768
where:
bonds (distance) C4'-P energy: -80.579
bonds (distance) P-C4' energy: -92.998
flat angles C4'-P-C4' energy: -113.128
flat angles P-C4'-P energy: -56.824
tors. eta vs tors. theta energy: -113.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1347.488689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.488689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.488689 (E_RNA)
where:
Base-Base interactions energy: -933.054
where: short stacking energy: -390.826
Base-Backbone interact. energy: -1.735
local terms energy: -412.700150
where:
bonds (distance) C4'-P energy: -83.876
bonds (distance) P-C4' energy: -96.021
flat angles C4'-P-C4' energy: -86.891
flat angles P-C4'-P energy: -61.512
tors. eta vs tors. theta energy: -84.401
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: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1099.679413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.679413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.679413 (E_RNA)
where:
Base-Base interactions energy: -745.856
where: short stacking energy: -311.077
Base-Backbone interact. energy: -2.945
local terms energy: -350.878008
where:
bonds (distance) C4'-P energy: -81.185
bonds (distance) P-C4' energy: -81.508
flat angles C4'-P-C4' energy: -105.154
flat angles P-C4'-P energy: -35.694
tors. eta vs tors. theta energy: -47.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -967.634815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.634815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.634815 (E_RNA)
where:
Base-Base interactions energy: -617.993
where: short stacking energy: -277.544
Base-Backbone interact. energy: 3.201
local terms energy: -352.843062
where:
bonds (distance) C4'-P energy: -94.353
bonds (distance) P-C4' energy: -74.172
flat angles C4'-P-C4' energy: -105.209
flat angles P-C4'-P energy: -42.986
tors. eta vs tors. theta energy: -36.123
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: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -586.897433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.897433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.897433 (E_RNA)
where:
Base-Base interactions energy: -307.963
where: short stacking energy: -159.459
Base-Backbone interact. energy: 0.541
local terms energy: -279.475714
where:
bonds (distance) C4'-P energy: -71.495
bonds (distance) P-C4' energy: -87.468
flat angles C4'-P-C4' energy: -88.987
flat angles P-C4'-P energy: -43.654
tors. eta vs tors. theta energy: 12.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1877.055292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.055292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.055292 (E_RNA)
where:
Base-Base interactions energy: -1337.690
where: short stacking energy: -514.927
Base-Backbone interact. energy: -4.189
local terms energy: -535.176458
where:
bonds (distance) C4'-P energy: -95.639
bonds (distance) P-C4' energy: -106.085
flat angles C4'-P-C4' energy: -111.652
flat angles P-C4'-P energy: -78.187
tors. eta vs tors. theta energy: -143.613
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: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1785.488110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.488110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.488110 (E_RNA)
where:
Base-Base interactions energy: -1261.083
where: short stacking energy: -506.075
Base-Backbone interact. energy: -2.686
local terms energy: -521.719606
where:
bonds (distance) C4'-P energy: -98.801
bonds (distance) P-C4' energy: -100.042
flat angles C4'-P-C4' energy: -115.876
flat angles P-C4'-P energy: -70.255
tors. eta vs tors. theta energy: -136.746
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: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1723.799490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.799490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.799490 (E_RNA)
where:
Base-Base interactions energy: -1231.439
where: short stacking energy: -506.334
Base-Backbone interact. energy: 1.007
local terms energy: -493.368352
where:
bonds (distance) C4'-P energy: -92.519
bonds (distance) P-C4' energy: -86.684
flat angles C4'-P-C4' energy: -110.888
flat angles P-C4'-P energy: -71.189
tors. eta vs tors. theta energy: -132.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1588.183045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.183045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.183045 (E_RNA)
where:
Base-Base interactions energy: -1104.380
where: short stacking energy: -442.892
Base-Backbone interact. energy: -1.555
local terms energy: -482.248244
where:
bonds (distance) C4'-P energy: -94.434
bonds (distance) P-C4' energy: -92.762
flat angles C4'-P-C4' energy: -104.448
flat angles P-C4'-P energy: -72.883
tors. eta vs tors. theta energy: -117.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1560.964186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.964186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.964186 (E_RNA)
where:
Base-Base interactions energy: -1097.003
where: short stacking energy: -460.831
Base-Backbone interact. energy: -1.467
local terms energy: -462.494433
where:
bonds (distance) C4'-P energy: -85.304
bonds (distance) P-C4' energy: -95.996
flat angles C4'-P-C4' energy: -97.068
flat angles P-C4'-P energy: -59.276
tors. eta vs tors. theta energy: -124.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1483.750728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.750728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.750728 (E_RNA)
where:
Base-Base interactions energy: -1035.323
where: short stacking energy: -426.332
Base-Backbone interact. energy: -0.507
local terms energy: -447.921468
where:
bonds (distance) C4'-P energy: -61.644
bonds (distance) P-C4' energy: -113.401
flat angles C4'-P-C4' energy: -90.912
flat angles P-C4'-P energy: -71.165
tors. eta vs tors. theta energy: -110.799
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: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1408.164434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.164434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.164434 (E_RNA)
where:
Base-Base interactions energy: -985.957
where: short stacking energy: -401.808
Base-Backbone interact. energy: -2.505
local terms energy: -419.702535
where:
bonds (distance) C4'-P energy: -74.906
bonds (distance) P-C4' energy: -92.734
flat angles C4'-P-C4' energy: -96.864
flat angles P-C4'-P energy: -67.339
tors. eta vs tors. theta energy: -87.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1112.363618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.363618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.363618 (E_RNA)
where:
Base-Base interactions energy: -730.312
where: short stacking energy: -331.718
Base-Backbone interact. energy: -2.582
local terms energy: -379.469392
where:
bonds (distance) C4'-P energy: -84.412
bonds (distance) P-C4' energy: -76.504
flat angles C4'-P-C4' energy: -93.446
flat angles P-C4'-P energy: -56.164
tors. eta vs tors. theta energy: -68.944
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: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -994.783450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.783450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.783450 (E_RNA)
where:
Base-Base interactions energy: -619.418
where: short stacking energy: -300.568
Base-Backbone interact. energy: -2.569
local terms energy: -372.795751
where:
bonds (distance) C4'-P energy: -68.448
bonds (distance) P-C4' energy: -82.982
flat angles C4'-P-C4' energy: -97.497
flat angles P-C4'-P energy: -57.529
tors. eta vs tors. theta energy: -66.340
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: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -567.566425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.566425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.566425 (E_RNA)
where:
Base-Base interactions energy: -276.266
where: short stacking energy: -165.271
Base-Backbone interact. energy: 0.107
local terms energy: -291.407980
where:
bonds (distance) C4'-P energy: -78.829
bonds (distance) P-C4' energy: -83.781
flat angles C4'-P-C4' energy: -73.635
flat angles P-C4'-P energy: -42.775
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1871.615065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.615065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.615065 (E_RNA)
where:
Base-Base interactions energy: -1322.025
where: short stacking energy: -516.884
Base-Backbone interact. energy: 0.528
local terms energy: -550.118681
where:
bonds (distance) C4'-P energy: -101.334
bonds (distance) P-C4' energy: -105.795
flat angles C4'-P-C4' energy: -126.223
flat angles P-C4'-P energy: -75.375
tors. eta vs tors. theta energy: -141.393
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: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1795.211003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.211003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.211003 (E_RNA)
where:
Base-Base interactions energy: -1276.345
where: short stacking energy: -486.397
Base-Backbone interact. energy: -2.511
local terms energy: -516.354341
where:
bonds (distance) C4'-P energy: -99.683
bonds (distance) P-C4' energy: -95.269
flat angles C4'-P-C4' energy: -110.026
flat angles P-C4'-P energy: -74.981
tors. eta vs tors. theta energy: -136.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1729.685307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.685307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.685307 (E_RNA)
where:
Base-Base interactions energy: -1233.804
where: short stacking energy: -526.332
Base-Backbone interact. energy: -4.004
local terms energy: -491.877805
where:
bonds (distance) C4'-P energy: -90.446
bonds (distance) P-C4' energy: -90.735
flat angles C4'-P-C4' energy: -112.133
flat angles P-C4'-P energy: -69.304
tors. eta vs tors. theta energy: -129.260
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: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1606.623275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.623275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.623275 (E_RNA)
where:
Base-Base interactions energy: -1132.962
where: short stacking energy: -458.165
Base-Backbone interact. energy: -2.361
local terms energy: -471.300113
where:
bonds (distance) C4'-P energy: -76.142
bonds (distance) P-C4' energy: -102.013
flat angles C4'-P-C4' energy: -107.851
flat angles P-C4'-P energy: -64.711
tors. eta vs tors. theta energy: -120.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1540.044905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.044905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.044905 (E_RNA)
where:
Base-Base interactions energy: -1057.592
where: short stacking energy: -429.598
Base-Backbone interact. energy: -3.329
local terms energy: -479.123505
where:
bonds (distance) C4'-P energy: -92.011
bonds (distance) P-C4' energy: -84.826
flat angles C4'-P-C4' energy: -110.702
flat angles P-C4'-P energy: -72.446
tors. eta vs tors. theta energy: -119.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1507.137836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.137836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.137836 (E_RNA)
where:
Base-Base interactions energy: -1045.487
where: short stacking energy: -440.585
Base-Backbone interact. energy: -2.610
local terms energy: -459.040991
where:
bonds (distance) C4'-P energy: -96.681
bonds (distance) P-C4' energy: -85.265
flat angles C4'-P-C4' energy: -100.138
flat angles P-C4'-P energy: -60.607
tors. eta vs tors. theta energy: -116.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1440.752897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.752897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.752897 (E_RNA)
where:
Base-Base interactions energy: -993.083
where: short stacking energy: -405.396
Base-Backbone interact. energy: -2.260
local terms energy: -445.410837
where:
bonds (distance) C4'-P energy: -90.759
bonds (distance) P-C4' energy: -75.997
flat angles C4'-P-C4' energy: -101.808
flat angles P-C4'-P energy: -63.170
tors. eta vs tors. theta energy: -113.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1097.836024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.836024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.836024 (E_RNA)
where:
Base-Base interactions energy: -696.779
where: short stacking energy: -285.161
Base-Backbone interact. energy: -1.338
local terms energy: -399.719027
where:
bonds (distance) C4'-P energy: -98.150
bonds (distance) P-C4' energy: -83.215
flat angles C4'-P-C4' energy: -96.771
flat angles P-C4'-P energy: -60.167
tors. eta vs tors. theta energy: -61.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -888.837429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.837429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.837429 (E_RNA)
where:
Base-Base interactions energy: -531.504
where: short stacking energy: -257.102
Base-Backbone interact. energy: -2.570
local terms energy: -354.762993
where:
bonds (distance) C4'-P energy: -101.917
bonds (distance) P-C4' energy: -100.228
flat angles C4'-P-C4' energy: -75.478
flat angles P-C4'-P energy: -41.062
tors. eta vs tors. theta energy: -36.077
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: 180
Temperature: 1.350000
Total energy: -552.714394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.714394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.714394 (E_RNA)
where:
Base-Base interactions energy: -290.085
where: short stacking energy: -168.000
Base-Backbone interact. energy: 2.799
local terms energy: -265.428239
where:
bonds (distance) C4'-P energy: -66.318
bonds (distance) P-C4' energy: -89.019
flat angles C4'-P-C4' energy: -78.074
flat angles P-C4'-P energy: -31.902
tors. eta vs tors. theta energy: -0.115
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: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1856.925576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.925576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.925576 (E_RNA)
where:
Base-Base interactions energy: -1312.788
where: short stacking energy: -508.635
Base-Backbone interact. energy: -1.435
local terms energy: -542.702380
where:
bonds (distance) C4'-P energy: -108.116
bonds (distance) P-C4' energy: -103.980
flat angles C4'-P-C4' energy: -112.134
flat angles P-C4'-P energy: -80.247
tors. eta vs tors. theta energy: -138.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1818.011795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.011795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.011795 (E_RNA)
where:
Base-Base interactions energy: -1293.499
where: short stacking energy: -503.892
Base-Backbone interact. energy: 1.899
local terms energy: -526.411794
where:
bonds (distance) C4'-P energy: -88.836
bonds (distance) P-C4' energy: -111.016
flat angles C4'-P-C4' energy: -111.257
flat angles P-C4'-P energy: -78.095
tors. eta vs tors. theta energy: -137.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1730.085991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.085991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.085991 (E_RNA)
where:
Base-Base interactions energy: -1215.842
where: short stacking energy: -519.154
Base-Backbone interact. energy: -3.012
local terms energy: -511.231962
where:
bonds (distance) C4'-P energy: -92.472
bonds (distance) P-C4' energy: -99.409
flat angles C4'-P-C4' energy: -117.471
flat angles P-C4'-P energy: -70.122
tors. eta vs tors. theta energy: -131.757
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: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1577.317507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.317507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.317507 (E_RNA)
where:
Base-Base interactions energy: -1114.925
where: short stacking energy: -454.752
Base-Backbone interact. energy: 2.075
local terms energy: -464.467486
where:
bonds (distance) C4'-P energy: -78.666
bonds (distance) P-C4' energy: -94.316
flat angles C4'-P-C4' energy: -108.714
flat angles P-C4'-P energy: -76.655
tors. eta vs tors. theta energy: -106.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1577.370136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.370136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.370136 (E_RNA)
where:
Base-Base interactions energy: -1077.788
where: short stacking energy: -426.352
Base-Backbone interact. energy: -4.761
local terms energy: -494.821289
where:
bonds (distance) C4'-P energy: -88.995
bonds (distance) P-C4' energy: -97.728
flat angles C4'-P-C4' energy: -120.505
flat angles P-C4'-P energy: -66.225
tors. eta vs tors. theta energy: -121.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1456.772929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.772929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.772929 (E_RNA)
where:
Base-Base interactions energy: -1018.395
where: short stacking energy: -414.059
Base-Backbone interact. energy: 1.241
local terms energy: -439.618834
where:
bonds (distance) C4'-P energy: -79.752
bonds (distance) P-C4' energy: -94.698
flat angles C4'-P-C4' energy: -103.307
flat angles P-C4'-P energy: -69.540
tors. eta vs tors. theta energy: -92.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1394.594234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.594234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.594234 (E_RNA)
where:
Base-Base interactions energy: -958.468
where: short stacking energy: -391.665
Base-Backbone interact. energy: -0.424
local terms energy: -435.701589
where:
bonds (distance) C4'-P energy: -75.140
bonds (distance) P-C4' energy: -93.150
flat angles C4'-P-C4' energy: -97.692
flat angles P-C4'-P energy: -61.046
tors. eta vs tors. theta energy: -108.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1158.614154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.614154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.614154 (E_RNA)
where:
Base-Base interactions energy: -786.522
where: short stacking energy: -325.910
Base-Backbone interact. energy: -0.731
local terms energy: -371.361389
where:
bonds (distance) C4'-P energy: -82.431
bonds (distance) P-C4' energy: -78.749
flat angles C4'-P-C4' energy: -92.121
flat angles P-C4'-P energy: -49.317
tors. eta vs tors. theta energy: -68.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -903.484283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.484283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.484283 (E_RNA)
where:
Base-Base interactions energy: -561.985
where: short stacking energy: -273.103
Base-Backbone interact. energy: -1.555
local terms energy: -339.944725
where:
bonds (distance) C4'-P energy: -85.390
bonds (distance) P-C4' energy: -77.799
flat angles C4'-P-C4' energy: -84.623
flat angles P-C4'-P energy: -54.397
tors. eta vs tors. theta energy: -37.736
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: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -603.950235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.950235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.950235 (E_RNA)
where:
Base-Base interactions energy: -309.273
where: short stacking energy: -166.034
Base-Backbone interact. energy: 9.635
local terms energy: -304.312641
where:
bonds (distance) C4'-P energy: -92.319
bonds (distance) P-C4' energy: -77.787
flat angles C4'-P-C4' energy: -87.054
flat angles P-C4'-P energy: -46.129
tors. eta vs tors. theta energy: -1.025
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: 182
Temperature: 0.900000
Total energy: -1860.936994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.936994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.936994 (E_RNA)
where:
Base-Base interactions energy: -1335.299
where: short stacking energy: -496.530
Base-Backbone interact. energy: -2.263
local terms energy: -523.374863
where:
bonds (distance) C4'-P energy: -100.479
bonds (distance) P-C4' energy: -99.991
flat angles C4'-P-C4' energy: -114.051
flat angles P-C4'-P energy: -74.594
tors. eta vs tors. theta energy: -134.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1799.351543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.351543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.351543 (E_RNA)
where:
Base-Base interactions energy: -1264.264
where: short stacking energy: -506.241
Base-Backbone interact. energy: -0.255
local terms energy: -534.832561
where:
bonds (distance) C4'-P energy: -95.081
bonds (distance) P-C4' energy: -103.312
flat angles C4'-P-C4' energy: -110.453
flat angles P-C4'-P energy: -87.886
tors. eta vs tors. theta energy: -138.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1739.510542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.510542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.510542 (E_RNA)
where:
Base-Base interactions energy: -1215.316
where: short stacking energy: -493.280
Base-Backbone interact. energy: 0.461
local terms energy: -524.655797
where:
bonds (distance) C4'-P energy: -104.491
bonds (distance) P-C4' energy: -98.653
flat angles C4'-P-C4' energy: -115.671
flat angles P-C4'-P energy: -69.110
tors. eta vs tors. theta energy: -136.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1579.123390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.123390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.123390 (E_RNA)
where:
Base-Base interactions energy: -1091.102
where: short stacking energy: -446.669
Base-Backbone interact. energy: -0.104
local terms energy: -487.917972
where:
bonds (distance) C4'-P energy: -96.339
bonds (distance) P-C4' energy: -102.264
flat angles C4'-P-C4' energy: -107.845
flat angles P-C4'-P energy: -65.419
tors. eta vs tors. theta energy: -116.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1575.053387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.053387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.053387 (E_RNA)
where:
Base-Base interactions energy: -1104.582
where: short stacking energy: -456.159
Base-Backbone interact. energy: -0.583
local terms energy: -469.888402
where:
bonds (distance) C4'-P energy: -89.569
bonds (distance) P-C4' energy: -92.213
flat angles C4'-P-C4' energy: -109.549
flat angles P-C4'-P energy: -60.682
tors. eta vs tors. theta energy: -117.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1447.412028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.412028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.412028 (E_RNA)
where:
Base-Base interactions energy: -1031.513
where: short stacking energy: -397.291
Base-Backbone interact. energy: -3.342
local terms energy: -412.557747
where:
bonds (distance) C4'-P energy: -80.439
bonds (distance) P-C4' energy: -84.055
flat angles C4'-P-C4' energy: -93.182
flat angles P-C4'-P energy: -58.398
tors. eta vs tors. theta energy: -96.484
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: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1347.903391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.903391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.903391 (E_RNA)
where:
Base-Base interactions energy: -913.096
where: short stacking energy: -386.770
Base-Backbone interact. energy: -0.133
local terms energy: -434.673898
where:
bonds (distance) C4'-P energy: -77.878
bonds (distance) P-C4' energy: -80.291
flat angles C4'-P-C4' energy: -110.588
flat angles P-C4'-P energy: -63.128
tors. eta vs tors. theta energy: -102.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1208.556769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.556769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.556769 (E_RNA)
where:
Base-Base interactions energy: -800.160
where: short stacking energy: -351.395
Base-Backbone interact. energy: 2.307
local terms energy: -410.703861
where:
bonds (distance) C4'-P energy: -93.709
bonds (distance) P-C4' energy: -92.356
flat angles C4'-P-C4' energy: -84.434
flat angles P-C4'-P energy: -62.622
tors. eta vs tors. theta energy: -77.583
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: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -919.822291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.822291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.822291 (E_RNA)
where:
Base-Base interactions energy: -558.891
where: short stacking energy: -258.238
Base-Backbone interact. energy: -2.771
local terms energy: -358.161061
where:
bonds (distance) C4'-P energy: -75.670
bonds (distance) P-C4' energy: -94.513
flat angles C4'-P-C4' energy: -83.319
flat angles P-C4'-P energy: -55.844
tors. eta vs tors. theta energy: -48.816
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: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -637.849139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.849139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.849139 (E_RNA)
where:
Base-Base interactions energy: -323.562
where: short stacking energy: -177.628
Base-Backbone interact. energy: -1.112
local terms energy: -313.175104
where:
bonds (distance) C4'-P energy: -87.860
bonds (distance) P-C4' energy: -89.393
flat angles C4'-P-C4' energy: -69.982
flat angles P-C4'-P energy: -54.727
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1866.548000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.548000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.548000 (E_RNA)
where:
Base-Base interactions energy: -1340.378
where: short stacking energy: -513.726
Base-Backbone interact. energy: -2.608
local terms energy: -523.561695
where:
bonds (distance) C4'-P energy: -96.927
bonds (distance) P-C4' energy: -107.033
flat angles C4'-P-C4' energy: -117.542
flat angles P-C4'-P energy: -59.956
tors. eta vs tors. theta energy: -142.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1809.551970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.551970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.551970 (E_RNA)
where:
Base-Base interactions energy: -1280.254
where: short stacking energy: -499.670
Base-Backbone interact. energy: -5.240
local terms energy: -524.058185
where:
bonds (distance) C4'-P energy: -100.421
bonds (distance) P-C4' energy: -107.418
flat angles C4'-P-C4' energy: -114.048
flat angles P-C4'-P energy: -63.625
tors. eta vs tors. theta energy: -138.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1728.493573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.493573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.493573 (E_RNA)
where:
Base-Base interactions energy: -1214.649
where: short stacking energy: -498.602
Base-Backbone interact. energy: -1.458
local terms energy: -512.385809
where:
bonds (distance) C4'-P energy: -96.246
bonds (distance) P-C4' energy: -98.031
flat angles C4'-P-C4' energy: -113.043
flat angles P-C4'-P energy: -70.359
tors. eta vs tors. theta energy: -134.708
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: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1583.494744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.494744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.494744 (E_RNA)
where:
Base-Base interactions energy: -1093.286
where: short stacking energy: -453.552
Base-Backbone interact. energy: -1.149
local terms energy: -489.059178
where:
bonds (distance) C4'-P energy: -103.440
bonds (distance) P-C4' energy: -89.641
flat angles C4'-P-C4' energy: -101.357
flat angles P-C4'-P energy: -71.406
tors. eta vs tors. theta energy: -123.215
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: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1540.719051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.719051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.719051 (E_RNA)
where:
Base-Base interactions energy: -1070.331
where: short stacking energy: -461.781
Base-Backbone interact. energy: -0.063
local terms energy: -470.324623
where:
bonds (distance) C4'-P energy: -81.332
bonds (distance) P-C4' energy: -86.637
flat angles C4'-P-C4' energy: -108.187
flat angles P-C4'-P energy: -77.425
tors. eta vs tors. theta energy: -116.744
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: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1505.193446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.193446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.193446 (E_RNA)
where:
Base-Base interactions energy: -1044.305
where: short stacking energy: -407.889
Base-Backbone interact. energy: -0.253
local terms energy: -460.635270
where:
bonds (distance) C4'-P energy: -83.570
bonds (distance) P-C4' energy: -93.669
flat angles C4'-P-C4' energy: -90.424
flat angles P-C4'-P energy: -82.823
tors. eta vs tors. theta energy: -110.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1462.215402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.215402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.215402 (E_RNA)
where:
Base-Base interactions energy: -998.513
where: short stacking energy: -423.103
Base-Backbone interact. energy: 0.395
local terms energy: -464.096827
where:
bonds (distance) C4'-P energy: -77.348
bonds (distance) P-C4' energy: -95.881
flat angles C4'-P-C4' energy: -105.273
flat angles P-C4'-P energy: -72.328
tors. eta vs tors. theta energy: -113.268
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: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1206.660468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.660468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.660468 (E_RNA)
where:
Base-Base interactions energy: -821.331
where: short stacking energy: -342.123
Base-Backbone interact. energy: 0.293
local terms energy: -385.622448
where:
bonds (distance) C4'-P energy: -83.134
bonds (distance) P-C4' energy: -87.360
flat angles C4'-P-C4' energy: -88.914
flat angles P-C4'-P energy: -40.001
tors. eta vs tors. theta energy: -86.213
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: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -907.155192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.155192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.155192 (E_RNA)
where:
Base-Base interactions energy: -564.428
where: short stacking energy: -249.377
Base-Backbone interact. energy: -1.734
local terms energy: -340.993606
where:
bonds (distance) C4'-P energy: -76.273
bonds (distance) P-C4' energy: -80.564
flat angles C4'-P-C4' energy: -85.805
flat angles P-C4'-P energy: -62.238
tors. eta vs tors. theta energy: -36.113
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: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -626.355877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.355877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.355877 (E_RNA)
where:
Base-Base interactions energy: -345.123
where: short stacking energy: -193.578
Base-Backbone interact. energy: -0.241
local terms energy: -280.991833
where:
bonds (distance) C4'-P energy: -97.091
bonds (distance) P-C4' energy: -103.379
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1870.979381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.979381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.979381 (E_RNA)
where:
Base-Base interactions energy: -1334.058
where: short stacking energy: -497.453
Base-Backbone interact. energy: -3.793
local terms energy: -533.128525
where:
bonds (distance) C4'-P energy: -100.199
bonds (distance) P-C4' energy: -96.131
flat angles C4'-P-C4' energy: -121.499
flat angles P-C4'-P energy: -77.618
tors. eta vs tors. theta energy: -137.682
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: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1800.873523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.873523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.873523 (E_RNA)
where:
Base-Base interactions energy: -1293.511
where: short stacking energy: -539.900
Base-Backbone interact. energy: -1.131
local terms energy: -506.232300
where:
bonds (distance) C4'-P energy: -96.990
bonds (distance) P-C4' energy: -89.430
flat angles C4'-P-C4' energy: -118.194
flat angles P-C4'-P energy: -60.306
tors. eta vs tors. theta energy: -141.311
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: 184
Temperature: 1.000000
Total energy: -1750.500701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.500701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.500701 (E_RNA)
where:
Base-Base interactions energy: -1252.382
where: short stacking energy: -522.301
Base-Backbone interact. energy: 0.553
local terms energy: -498.671507
where:
bonds (distance) C4'-P energy: -92.921
bonds (distance) P-C4' energy: -99.322
flat angles C4'-P-C4' energy: -107.192
flat angles P-C4'-P energy: -72.526
tors. eta vs tors. theta energy: -126.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1585.967098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.967098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.967098 (E_RNA)
where:
Base-Base interactions energy: -1104.350
where: short stacking energy: -453.279
Base-Backbone interact. energy: -7.265
local terms energy: -474.351690
where:
bonds (distance) C4'-P energy: -81.000
bonds (distance) P-C4' energy: -98.230
flat angles C4'-P-C4' energy: -96.486
flat angles P-C4'-P energy: -79.532
tors. eta vs tors. theta energy: -119.103
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: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1602.314610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.314610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.314610 (E_RNA)
where:
Base-Base interactions energy: -1125.258
where: short stacking energy: -474.704
Base-Backbone interact. energy: 1.163
local terms energy: -478.220164
where:
bonds (distance) C4'-P energy: -89.076
bonds (distance) P-C4' energy: -102.476
flat angles C4'-P-C4' energy: -95.477
flat angles P-C4'-P energy: -68.788
tors. eta vs tors. theta energy: -122.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1507.144933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.144933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.144933 (E_RNA)
where:
Base-Base interactions energy: -1064.145
where: short stacking energy: -419.503
Base-Backbone interact. energy: 0.929
local terms energy: -443.928949
where:
bonds (distance) C4'-P energy: -72.431
bonds (distance) P-C4' energy: -86.008
flat angles C4'-P-C4' energy: -114.875
flat angles P-C4'-P energy: -62.083
tors. eta vs tors. theta energy: -108.533
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: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1447.446225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.446225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.446225 (E_RNA)
where:
Base-Base interactions energy: -1020.031
where: short stacking energy: -432.286
Base-Backbone interact. energy: 1.726
local terms energy: -429.140991
where:
bonds (distance) C4'-P energy: -83.449
bonds (distance) P-C4' energy: -75.388
flat angles C4'-P-C4' energy: -102.615
flat angles P-C4'-P energy: -62.853
tors. eta vs tors. theta energy: -104.836
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: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1285.409376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.409376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.409376 (E_RNA)
where:
Base-Base interactions energy: -895.537
where: short stacking energy: -379.880
Base-Backbone interact. energy: -1.945
local terms energy: -387.927070
where:
bonds (distance) C4'-P energy: -74.759
bonds (distance) P-C4' energy: -75.747
flat angles C4'-P-C4' energy: -91.024
flat angles P-C4'-P energy: -56.314
tors. eta vs tors. theta energy: -90.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -950.613169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.613169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.613169 (E_RNA)
where:
Base-Base interactions energy: -588.349
where: short stacking energy: -274.414
Base-Backbone interact. energy: 0.115
local terms energy: -362.378757
where:
bonds (distance) C4'-P energy: -86.961
bonds (distance) P-C4' energy: -93.334
flat angles C4'-P-C4' energy: -88.363
flat angles P-C4'-P energy: -47.812
tors. eta vs tors. theta energy: -45.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -570.927681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.927681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.927681 (E_RNA)
where:
Base-Base interactions energy: -285.813
where: short stacking energy: -157.804
Base-Backbone interact. energy: 9.385
local terms energy: -294.499903
where:
bonds (distance) C4'-P energy: -82.775
bonds (distance) P-C4' energy: -90.011
flat angles C4'-P-C4' energy: -80.466
flat angles P-C4'-P energy: -47.208
tors. eta vs tors. theta energy: 5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1854.230969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.230969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.230969 (E_RNA)
where:
Base-Base interactions energy: -1325.135
where: short stacking energy: -518.629
Base-Backbone interact. energy: -3.609
local terms energy: -525.486891
where:
bonds (distance) C4'-P energy: -103.384
bonds (distance) P-C4' energy: -89.837
flat angles C4'-P-C4' energy: -118.327
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -132.148
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: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1747.355092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.355092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.355092 (E_RNA)
where:
Base-Base interactions energy: -1241.650
where: short stacking energy: -509.044
Base-Backbone interact. energy: -2.278
local terms energy: -503.427017
where:
bonds (distance) C4'-P energy: -97.588
bonds (distance) P-C4' energy: -90.594
flat angles C4'-P-C4' energy: -114.974
flat angles P-C4'-P energy: -70.422
tors. eta vs tors. theta energy: -129.848
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: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1714.299008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.299008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.299008 (E_RNA)
where:
Base-Base interactions energy: -1198.666
where: short stacking energy: -481.117
Base-Backbone interact. energy: -2.934
local terms energy: -512.699075
where:
bonds (distance) C4'-P energy: -100.573
bonds (distance) P-C4' energy: -103.938
flat angles C4'-P-C4' energy: -110.552
flat angles P-C4'-P energy: -73.078
tors. eta vs tors. theta energy: -124.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1596.463196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.463196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.463196 (E_RNA)
where:
Base-Base interactions energy: -1136.115
where: short stacking energy: -441.323
Base-Backbone interact. energy: -2.781
local terms energy: -457.567119
where:
bonds (distance) C4'-P energy: -83.200
bonds (distance) P-C4' energy: -99.407
flat angles C4'-P-C4' energy: -99.839
flat angles P-C4'-P energy: -62.706
tors. eta vs tors. theta energy: -112.416
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: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1555.834090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.834090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.834090 (E_RNA)
where:
Base-Base interactions energy: -1062.945
where: short stacking energy: -438.641
Base-Backbone interact. energy: -0.323
local terms energy: -492.566420
where:
bonds (distance) C4'-P energy: -100.555
bonds (distance) P-C4' energy: -98.243
flat angles C4'-P-C4' energy: -111.723
flat angles P-C4'-P energy: -70.779
tors. eta vs tors. theta energy: -111.266
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: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1535.903337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.903337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.903337 (E_RNA)
where:
Base-Base interactions energy: -1064.221
where: short stacking energy: -451.969
Base-Backbone interact. energy: -1.559
local terms energy: -470.122849
where:
bonds (distance) C4'-P energy: -80.391
bonds (distance) P-C4' energy: -95.038
flat angles C4'-P-C4' energy: -102.888
flat angles P-C4'-P energy: -71.188
tors. eta vs tors. theta energy: -120.617
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: 7, replica: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1430.430704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.430704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.430704 (E_RNA)
where:
Base-Base interactions energy: -1003.142
where: short stacking energy: -392.500
Base-Backbone interact. energy: 0.025
local terms energy: -427.313907
where:
bonds (distance) C4'-P energy: -70.146
bonds (distance) P-C4' energy: -93.968
flat angles C4'-P-C4' energy: -101.481
flat angles P-C4'-P energy: -63.886
tors. eta vs tors. theta energy: -97.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1245.660934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.660934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.660934 (E_RNA)
where:
Base-Base interactions energy: -849.929
where: short stacking energy: -344.235
Base-Backbone interact. energy: 0.953
local terms energy: -396.684747
where:
bonds (distance) C4'-P energy: -55.279
bonds (distance) P-C4' energy: -82.958
flat angles C4'-P-C4' energy: -101.555
flat angles P-C4'-P energy: -70.857
tors. eta vs tors. theta energy: -86.035
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: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -926.076772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.076772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.076772 (E_RNA)
where:
Base-Base interactions energy: -571.845
where: short stacking energy: -279.672
Base-Backbone interact. energy: 1.534
local terms energy: -355.766211
where:
bonds (distance) C4'-P energy: -79.184
bonds (distance) P-C4' energy: -83.239
flat angles C4'-P-C4' energy: -91.789
flat angles P-C4'-P energy: -58.876
tors. eta vs tors. theta energy: -42.678
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: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -571.901694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.901694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.901694 (E_RNA)
where:
Base-Base interactions energy: -276.958
where: short stacking energy: -161.516
Base-Backbone interact. energy: -1.793
local terms energy: -293.150607
where:
bonds (distance) C4'-P energy: -86.923
bonds (distance) P-C4' energy: -80.910
flat angles C4'-P-C4' energy: -78.866
flat angles P-C4'-P energy: -40.687
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1858.781217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.781217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.781217 (E_RNA)
where:
Base-Base interactions energy: -1333.998
where: short stacking energy: -518.027
Base-Backbone interact. energy: -4.491
local terms energy: -520.292385
where:
bonds (distance) C4'-P energy: -96.020
bonds (distance) P-C4' energy: -89.519
flat angles C4'-P-C4' energy: -110.708
flat angles P-C4'-P energy: -79.781
tors. eta vs tors. theta energy: -144.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1757.338867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.338867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.338867 (E_RNA)
where:
Base-Base interactions energy: -1232.961
where: short stacking energy: -486.019
Base-Backbone interact. energy: -3.492
local terms energy: -520.885654
where:
bonds (distance) C4'-P energy: -91.021
bonds (distance) P-C4' energy: -106.128
flat angles C4'-P-C4' energy: -116.628
flat angles P-C4'-P energy: -77.179
tors. eta vs tors. theta energy: -129.930
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: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1686.741111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.741111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.741111 (E_RNA)
where:
Base-Base interactions energy: -1192.146
where: short stacking energy: -467.168
Base-Backbone interact. energy: -2.057
local terms energy: -492.537720
where:
bonds (distance) C4'-P energy: -81.610
bonds (distance) P-C4' energy: -109.467
flat angles C4'-P-C4' energy: -108.290
flat angles P-C4'-P energy: -75.614
tors. eta vs tors. theta energy: -117.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1573.618982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.618982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.618982 (E_RNA)
where:
Base-Base interactions energy: -1085.858
where: short stacking energy: -452.827
Base-Backbone interact. energy: -2.712
local terms energy: -485.048958
where:
bonds (distance) C4'-P energy: -100.325
bonds (distance) P-C4' energy: -82.516
flat angles C4'-P-C4' energy: -109.388
flat angles P-C4'-P energy: -73.863
tors. eta vs tors. theta energy: -118.957
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: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1575.250642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.250642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.250642 (E_RNA)
where:
Base-Base interactions energy: -1100.815
where: short stacking energy: -446.429
Base-Backbone interact. energy: -3.013
local terms energy: -471.423088
where:
bonds (distance) C4'-P energy: -87.468
bonds (distance) P-C4' energy: -97.040
flat angles C4'-P-C4' energy: -98.673
flat angles P-C4'-P energy: -58.663
tors. eta vs tors. theta energy: -129.579
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: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1485.828402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.828402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.828402 (E_RNA)
where:
Base-Base interactions energy: -1016.231
where: short stacking energy: -440.862
Base-Backbone interact. energy: 1.405
local terms energy: -471.003051
where:
bonds (distance) C4'-P energy: -94.355
bonds (distance) P-C4' energy: -92.583
flat angles C4'-P-C4' energy: -93.044
flat angles P-C4'-P energy: -61.621
tors. eta vs tors. theta energy: -129.400
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: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1378.402534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.402534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.402534 (E_RNA)
where:
Base-Base interactions energy: -966.634
where: short stacking energy: -399.373
Base-Backbone interact. energy: -1.684
local terms energy: -410.084300
where:
bonds (distance) C4'-P energy: -79.460
bonds (distance) P-C4' energy: -92.606
flat angles C4'-P-C4' energy: -90.606
flat angles P-C4'-P energy: -61.460
tors. eta vs tors. theta energy: -85.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1328.710316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.710316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.710316 (E_RNA)
where:
Base-Base interactions energy: -901.975
where: short stacking energy: -390.533
Base-Backbone interact. energy: -0.940
local terms energy: -425.795524
where:
bonds (distance) C4'-P energy: -82.539
bonds (distance) P-C4' energy: -90.939
flat angles C4'-P-C4' energy: -94.895
flat angles P-C4'-P energy: -61.968
tors. eta vs tors. theta energy: -95.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -891.899219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.899219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.899219 (E_RNA)
where:
Base-Base interactions energy: -578.302
where: short stacking energy: -266.622
Base-Backbone interact. energy: -0.543
local terms energy: -313.054185
where:
bonds (distance) C4'-P energy: -70.615
bonds (distance) P-C4' energy: -85.011
flat angles C4'-P-C4' energy: -93.651
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: -37.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -552.273963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.273963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.273963 (E_RNA)
where:
Base-Base interactions energy: -245.887
where: short stacking energy: -158.859
Base-Backbone interact. energy: -0.218
local terms energy: -306.169825
where:
bonds (distance) C4'-P energy: -96.730
bonds (distance) P-C4' energy: -81.870
flat angles C4'-P-C4' energy: -76.939
flat angles P-C4'-P energy: -45.953
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1850.524760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.524760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.524760 (E_RNA)
where:
Base-Base interactions energy: -1356.681
where: short stacking energy: -510.744
Base-Backbone interact. energy: 0.275
local terms energy: -494.119736
where:
bonds (distance) C4'-P energy: -81.888
bonds (distance) P-C4' energy: -102.736
flat angles C4'-P-C4' energy: -108.653
flat angles P-C4'-P energy: -69.125
tors. eta vs tors. theta energy: -131.718
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: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1727.986153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.986153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.986153 (E_RNA)
where:
Base-Base interactions energy: -1220.791
where: short stacking energy: -459.657
Base-Backbone interact. energy: -3.501
local terms energy: -503.694192
where:
bonds (distance) C4'-P energy: -90.282
bonds (distance) P-C4' energy: -96.583
flat angles C4'-P-C4' energy: -114.892
flat angles P-C4'-P energy: -85.074
tors. eta vs tors. theta energy: -116.862
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: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1739.766020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.766020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.766020 (E_RNA)
where:
Base-Base interactions energy: -1227.337
where: short stacking energy: -500.375
Base-Backbone interact. energy: -1.640
local terms energy: -510.788386
where:
bonds (distance) C4'-P energy: -86.988
bonds (distance) P-C4' energy: -94.350
flat angles C4'-P-C4' energy: -117.846
flat angles P-C4'-P energy: -78.931
tors. eta vs tors. theta energy: -132.674
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: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1625.343716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.343716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.343716 (E_RNA)
where:
Base-Base interactions energy: -1161.623
where: short stacking energy: -483.480
Base-Backbone interact. energy: -3.834
local terms energy: -459.886533
where:
bonds (distance) C4'-P energy: -89.546
bonds (distance) P-C4' energy: -87.089
flat angles C4'-P-C4' energy: -103.268
flat angles P-C4'-P energy: -53.578
tors. eta vs tors. theta energy: -126.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1533.215801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.215801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.215801 (E_RNA)
where:
Base-Base interactions energy: -1079.404
where: short stacking energy: -449.156
Base-Backbone interact. energy: -4.268
local terms energy: -449.543984
where:
bonds (distance) C4'-P energy: -80.570
bonds (distance) P-C4' energy: -97.742
flat angles C4'-P-C4' energy: -97.049
flat angles P-C4'-P energy: -67.829
tors. eta vs tors. theta energy: -106.354
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: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1499.797496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.797496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.797496 (E_RNA)
where:
Base-Base interactions energy: -1040.179
where: short stacking energy: -431.602
Base-Backbone interact. energy: -0.336
local terms energy: -459.282309
where:
bonds (distance) C4'-P energy: -83.088
bonds (distance) P-C4' energy: -97.117
flat angles C4'-P-C4' energy: -102.962
flat angles P-C4'-P energy: -57.041
tors. eta vs tors. theta energy: -119.074
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: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1441.248186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.248186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.248186 (E_RNA)
where:
Base-Base interactions energy: -1044.581
where: short stacking energy: -409.874
Base-Backbone interact. energy: -1.000
local terms energy: -395.667983
where:
bonds (distance) C4'-P energy: -68.601
bonds (distance) P-C4' energy: -77.175
flat angles C4'-P-C4' energy: -94.718
flat angles P-C4'-P energy: -56.551
tors. eta vs tors. theta energy: -98.623
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: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1301.723957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.723957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.723957 (E_RNA)
where:
Base-Base interactions energy: -868.648
where: short stacking energy: -352.006
Base-Backbone interact. energy: -0.864
local terms energy: -432.212015
where:
bonds (distance) C4'-P energy: -77.296
bonds (distance) P-C4' energy: -90.929
flat angles C4'-P-C4' energy: -99.457
flat angles P-C4'-P energy: -71.780
tors. eta vs tors. theta energy: -92.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -899.460668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.460668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.460668 (E_RNA)
where:
Base-Base interactions energy: -564.777
where: short stacking energy: -262.409
Base-Backbone interact. energy: -2.256
local terms energy: -332.427178
where:
bonds (distance) C4'-P energy: -78.328
bonds (distance) P-C4' energy: -72.212
flat angles C4'-P-C4' energy: -91.776
flat angles P-C4'-P energy: -47.337
tors. eta vs tors. theta energy: -42.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -610.615611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.615611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.615611 (E_RNA)
where:
Base-Base interactions energy: -313.302
where: short stacking energy: -186.541
Base-Backbone interact. energy: 2.688
local terms energy: -300.001915
where:
bonds (distance) C4'-P energy: -97.594
bonds (distance) P-C4' energy: -65.098
flat angles C4'-P-C4' energy: -82.079
flat angles P-C4'-P energy: -48.099
tors. eta vs tors. theta energy: -7.132
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: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1854.710037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.710037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.710037 (E_RNA)
where:
Base-Base interactions energy: -1315.783
where: short stacking energy: -508.189
Base-Backbone interact. energy: -2.571
local terms energy: -536.355708
where:
bonds (distance) C4'-P energy: -105.312
bonds (distance) P-C4' energy: -96.915
flat angles C4'-P-C4' energy: -108.741
flat angles P-C4'-P energy: -81.523
tors. eta vs tors. theta energy: -143.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1724.739921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.739921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.739921 (E_RNA)
where:
Base-Base interactions energy: -1205.434
where: short stacking energy: -455.917
Base-Backbone interact. energy: -1.354
local terms energy: -517.952044
where:
bonds (distance) C4'-P energy: -101.643
bonds (distance) P-C4' energy: -100.082
flat angles C4'-P-C4' energy: -120.476
flat angles P-C4'-P energy: -67.948
tors. eta vs tors. theta energy: -127.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1743.702619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.702619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.702619 (E_RNA)
where:
Base-Base interactions energy: -1246.100
where: short stacking energy: -510.735
Base-Backbone interact. energy: -2.150
local terms energy: -495.451975
where:
bonds (distance) C4'-P energy: -87.629
bonds (distance) P-C4' energy: -90.125
flat angles C4'-P-C4' energy: -117.439
flat angles P-C4'-P energy: -72.433
tors. eta vs tors. theta energy: -127.825
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: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1608.130342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.130342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.130342 (E_RNA)
where:
Base-Base interactions energy: -1124.518
where: short stacking energy: -478.822
Base-Backbone interact. energy: 0.216
local terms energy: -483.828868
where:
bonds (distance) C4'-P energy: -80.526
bonds (distance) P-C4' energy: -94.967
flat angles C4'-P-C4' energy: -107.423
flat angles P-C4'-P energy: -70.221
tors. eta vs tors. theta energy: -130.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1576.413131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.413131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.413131 (E_RNA)
where:
Base-Base interactions energy: -1091.930
where: short stacking energy: -455.962
Base-Backbone interact. energy: -1.517
local terms energy: -482.966257
where:
bonds (distance) C4'-P energy: -93.246
bonds (distance) P-C4' energy: -89.063
flat angles C4'-P-C4' energy: -106.366
flat angles P-C4'-P energy: -62.975
tors. eta vs tors. theta energy: -131.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1524.716827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.716827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.716827 (E_RNA)
where:
Base-Base interactions energy: -1067.832
where: short stacking energy: -441.501
Base-Backbone interact. energy: -3.088
local terms energy: -453.796676
where:
bonds (distance) C4'-P energy: -88.254
bonds (distance) P-C4' energy: -78.648
flat angles C4'-P-C4' energy: -98.289
flat angles P-C4'-P energy: -70.176
tors. eta vs tors. theta energy: -118.430
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: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1438.764173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.764173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.764173 (E_RNA)
where:
Base-Base interactions energy: -1008.689
where: short stacking energy: -421.140
Base-Backbone interact. energy: 2.700
local terms energy: -432.774995
where:
bonds (distance) C4'-P energy: -93.906
bonds (distance) P-C4' energy: -81.296
flat angles C4'-P-C4' energy: -83.371
flat angles P-C4'-P energy: -71.903
tors. eta vs tors. theta energy: -102.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1244.174045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.174045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.174045 (E_RNA)
where:
Base-Base interactions energy: -839.604
where: short stacking energy: -368.809
Base-Backbone interact. energy: -0.927
local terms energy: -403.643261
where:
bonds (distance) C4'-P energy: -92.830
bonds (distance) P-C4' energy: -79.506
flat angles C4'-P-C4' energy: -108.108
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -75.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -941.777757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.777757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.777757 (E_RNA)
where:
Base-Base interactions energy: -591.217
where: short stacking energy: -249.466
Base-Backbone interact. energy: -0.883
local terms energy: -349.677588
where:
bonds (distance) C4'-P energy: -94.256
bonds (distance) P-C4' energy: -69.275
flat angles C4'-P-C4' energy: -86.159
flat angles P-C4'-P energy: -61.936
tors. eta vs tors. theta energy: -38.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -612.776041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.776041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.776041 (E_RNA)
where:
Base-Base interactions energy: -339.228
where: short stacking energy: -170.612
Base-Backbone interact. energy: -2.200
local terms energy: -271.348032
where:
bonds (distance) C4'-P energy: -75.743
bonds (distance) P-C4' energy: -83.414
flat angles C4'-P-C4' energy: -70.768
flat angles P-C4'-P energy: -52.891
tors. eta vs tors. theta energy: 11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1852.583258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.583258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.583258 (E_RNA)
where:
Base-Base interactions energy: -1324.178
where: short stacking energy: -508.424
Base-Backbone interact. energy: -1.272
local terms energy: -527.133943
where:
bonds (distance) C4'-P energy: -106.592
bonds (distance) P-C4' energy: -94.769
flat angles C4'-P-C4' energy: -122.169
flat angles P-C4'-P energy: -68.160
tors. eta vs tors. theta energy: -135.443
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: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1801.178533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.178533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.178533 (E_RNA)
where:
Base-Base interactions energy: -1279.653
where: short stacking energy: -509.345
Base-Backbone interact. energy: 4.361
local terms energy: -525.885827
where:
bonds (distance) C4'-P energy: -108.571
bonds (distance) P-C4' energy: -98.587
flat angles C4'-P-C4' energy: -117.490
flat angles P-C4'-P energy: -72.456
tors. eta vs tors. theta energy: -128.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1712.044828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.044828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.044828 (E_RNA)
where:
Base-Base interactions energy: -1207.465
where: short stacking energy: -504.252
Base-Backbone interact. energy: -4.154
local terms energy: -500.425642
where:
bonds (distance) C4'-P energy: -76.495
bonds (distance) P-C4' energy: -99.317
flat angles C4'-P-C4' energy: -106.641
flat angles P-C4'-P energy: -77.964
tors. eta vs tors. theta energy: -140.009
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: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1576.141945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.141945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.141945 (E_RNA)
where:
Base-Base interactions energy: -1116.791
where: short stacking energy: -443.728
Base-Backbone interact. energy: -1.839
local terms energy: -457.511558
where:
bonds (distance) C4'-P energy: -77.614
bonds (distance) P-C4' energy: -82.586
flat angles C4'-P-C4' energy: -109.969
flat angles P-C4'-P energy: -73.500
tors. eta vs tors. theta energy: -113.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1565.220694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.220694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.220694 (E_RNA)
where:
Base-Base interactions energy: -1094.396
where: short stacking energy: -451.642
Base-Backbone interact. energy: -1.924
local terms energy: -468.900469
where:
bonds (distance) C4'-P energy: -89.705
bonds (distance) P-C4' energy: -88.216
flat angles C4'-P-C4' energy: -114.825
flat angles P-C4'-P energy: -62.605
tors. eta vs tors. theta energy: -113.550
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: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1503.553204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.553204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.553204 (E_RNA)
where:
Base-Base interactions energy: -1037.215
where: short stacking energy: -411.020
Base-Backbone interact. energy: -2.019
local terms energy: -464.319692
where:
bonds (distance) C4'-P energy: -96.987
bonds (distance) P-C4' energy: -108.000
flat angles C4'-P-C4' energy: -112.890
flat angles P-C4'-P energy: -47.441
tors. eta vs tors. theta energy: -99.001
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: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1449.294839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.294839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.294839 (E_RNA)
where:
Base-Base interactions energy: -1033.048
where: short stacking energy: -427.849
Base-Backbone interact. energy: 4.282
local terms energy: -420.528437
where:
bonds (distance) C4'-P energy: -77.334
bonds (distance) P-C4' energy: -85.152
flat angles C4'-P-C4' energy: -99.021
flat angles P-C4'-P energy: -60.208
tors. eta vs tors. theta energy: -98.814
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: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1233.065501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.065501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.065501 (E_RNA)
where:
Base-Base interactions energy: -836.553
where: short stacking energy: -363.555
Base-Backbone interact. energy: 0.364
local terms energy: -396.875854
where:
bonds (distance) C4'-P energy: -80.595
bonds (distance) P-C4' energy: -81.294
flat angles C4'-P-C4' energy: -90.820
flat angles P-C4'-P energy: -61.740
tors. eta vs tors. theta energy: -82.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1012.818883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.818883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.818883 (E_RNA)
where:
Base-Base interactions energy: -628.765
where: short stacking energy: -284.540
Base-Backbone interact. energy: -1.142
local terms energy: -382.912110
where:
bonds (distance) C4'-P energy: -85.436
bonds (distance) P-C4' energy: -85.142
flat angles C4'-P-C4' energy: -83.328
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -76.577
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: 189
Temperature: 1.350000
Total energy: -661.366980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.366980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.366980 (E_RNA)
where:
Base-Base interactions energy: -364.983
where: short stacking energy: -211.968
Base-Backbone interact. energy: -1.047
local terms energy: -295.336646
where:
bonds (distance) C4'-P energy: -80.223
bonds (distance) P-C4' energy: -83.410
flat angles C4'-P-C4' energy: -61.160
flat angles P-C4'-P energy: -54.997
tors. eta vs tors. theta energy: -15.546
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: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1871.356278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.356278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.356278 (E_RNA)
where:
Base-Base interactions energy: -1339.689
where: short stacking energy: -503.578
Base-Backbone interact. energy: -1.755
local terms energy: -529.912766
where:
bonds (distance) C4'-P energy: -90.435
bonds (distance) P-C4' energy: -101.799
flat angles C4'-P-C4' energy: -121.458
flat angles P-C4'-P energy: -69.009
tors. eta vs tors. theta energy: -147.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1722.772005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.772005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.772005 (E_RNA)
where:
Base-Base interactions energy: -1182.924
where: short stacking energy: -504.465
Base-Backbone interact. energy: -0.860
local terms energy: -538.987915
where:
bonds (distance) C4'-P energy: -104.654
bonds (distance) P-C4' energy: -106.989
flat angles C4'-P-C4' energy: -123.098
flat angles P-C4'-P energy: -69.023
tors. eta vs tors. theta energy: -135.223
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: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1736.679538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.679538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.679538 (E_RNA)
where:
Base-Base interactions energy: -1246.692
where: short stacking energy: -504.941
Base-Backbone interact. energy: 0.429
local terms energy: -490.415855
where:
bonds (distance) C4'-P energy: -91.523
bonds (distance) P-C4' energy: -90.160
flat angles C4'-P-C4' energy: -111.571
flat angles P-C4'-P energy: -68.582
tors. eta vs tors. theta energy: -128.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1572.520743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.520743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.520743 (E_RNA)
where:
Base-Base interactions energy: -1083.108
where: short stacking energy: -441.195
Base-Backbone interact. energy: -1.705
local terms energy: -487.707350
where:
bonds (distance) C4'-P energy: -88.991
bonds (distance) P-C4' energy: -98.256
flat angles C4'-P-C4' energy: -110.678
flat angles P-C4'-P energy: -72.645
tors. eta vs tors. theta energy: -117.138
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: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1575.971389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.971389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.971389 (E_RNA)
where:
Base-Base interactions energy: -1091.218
where: short stacking energy: -447.538
Base-Backbone interact. energy: -0.482
local terms energy: -484.271736
where:
bonds (distance) C4'-P energy: -92.595
bonds (distance) P-C4' energy: -96.042
flat angles C4'-P-C4' energy: -105.772
flat angles P-C4'-P energy: -63.315
tors. eta vs tors. theta energy: -126.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1484.996823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.996823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.996823 (E_RNA)
where:
Base-Base interactions energy: -1025.731
where: short stacking energy: -413.153
Base-Backbone interact. energy: -4.174
local terms energy: -455.091531
where:
bonds (distance) C4'-P energy: -82.658
bonds (distance) P-C4' energy: -98.071
flat angles C4'-P-C4' energy: -96.913
flat angles P-C4'-P energy: -73.921
tors. eta vs tors. theta energy: -103.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1426.184888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.184888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.184888 (E_RNA)
where:
Base-Base interactions energy: -972.377
where: short stacking energy: -390.239
Base-Backbone interact. energy: -3.562
local terms energy: -450.245560
where:
bonds (distance) C4'-P energy: -90.184
bonds (distance) P-C4' energy: -89.640
flat angles C4'-P-C4' energy: -101.806
flat angles P-C4'-P energy: -72.262
tors. eta vs tors. theta energy: -96.354
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: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1262.682153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.682153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.682153 (E_RNA)
where:
Base-Base interactions energy: -873.774
where: short stacking energy: -386.017
Base-Backbone interact. energy: 8.723
local terms energy: -397.631500
where:
bonds (distance) C4'-P energy: -83.789
bonds (distance) P-C4' energy: -77.102
flat angles C4'-P-C4' energy: -92.295
flat angles P-C4'-P energy: -49.490
tors. eta vs tors. theta energy: -94.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -949.846500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.846500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.846500 (E_RNA)
where:
Base-Base interactions energy: -595.562
where: short stacking energy: -273.917
Base-Backbone interact. energy: 0.176
local terms energy: -354.459678
where:
bonds (distance) C4'-P energy: -77.057
bonds (distance) P-C4' energy: -86.764
flat angles C4'-P-C4' energy: -78.077
flat angles P-C4'-P energy: -61.206
tors. eta vs tors. theta energy: -51.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -632.405909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.405909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.405909 (E_RNA)
where:
Base-Base interactions energy: -330.765
where: short stacking energy: -192.683
Base-Backbone interact. energy: 5.488
local terms energy: -307.128509
where:
bonds (distance) C4'-P energy: -75.551
bonds (distance) P-C4' energy: -91.655
flat angles C4'-P-C4' energy: -85.923
flat angles P-C4'-P energy: -41.345
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: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1872.421838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.421838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.421838 (E_RNA)
where:
Base-Base interactions energy: -1341.731
where: short stacking energy: -520.015
Base-Backbone interact. energy: -2.942
local terms energy: -527.748638
where:
bonds (distance) C4'-P energy: -104.743
bonds (distance) P-C4' energy: -94.623
flat angles C4'-P-C4' energy: -115.090
flat angles P-C4'-P energy: -77.008
tors. eta vs tors. theta energy: -136.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1741.086316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.086316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.086316 (E_RNA)
where:
Base-Base interactions energy: -1195.545
where: short stacking energy: -489.259
Base-Backbone interact. energy: -3.498
local terms energy: -542.042509
where:
bonds (distance) C4'-P energy: -105.023
bonds (distance) P-C4' energy: -108.453
flat angles C4'-P-C4' energy: -118.521
flat angles P-C4'-P energy: -72.576
tors. eta vs tors. theta energy: -137.470
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: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1704.815587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.815587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.815587 (E_RNA)
where:
Base-Base interactions energy: -1194.389
where: short stacking energy: -487.956
Base-Backbone interact. energy: -2.961
local terms energy: -507.465769
where:
bonds (distance) C4'-P energy: -98.166
bonds (distance) P-C4' energy: -96.750
flat angles C4'-P-C4' energy: -109.716
flat angles P-C4'-P energy: -73.780
tors. eta vs tors. theta energy: -129.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1609.857723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.857723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.857723 (E_RNA)
where:
Base-Base interactions energy: -1104.748
where: short stacking energy: -473.228
Base-Backbone interact. energy: -2.181
local terms energy: -502.928795
where:
bonds (distance) C4'-P energy: -99.199
bonds (distance) P-C4' energy: -94.328
flat angles C4'-P-C4' energy: -116.845
flat angles P-C4'-P energy: -67.904
tors. eta vs tors. theta energy: -124.653
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: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1551.904212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.904212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.904212 (E_RNA)
where:
Base-Base interactions energy: -1079.571
where: short stacking energy: -443.243
Base-Backbone interact. energy: -1.598
local terms energy: -470.735296
where:
bonds (distance) C4'-P energy: -85.334
bonds (distance) P-C4' energy: -103.561
flat angles C4'-P-C4' energy: -104.586
flat angles P-C4'-P energy: -55.710
tors. eta vs tors. theta energy: -121.543
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: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1461.778744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.778744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.778744 (E_RNA)
where:
Base-Base interactions energy: -997.469
where: short stacking energy: -391.169
Base-Backbone interact. energy: -1.389
local terms energy: -462.921357
where:
bonds (distance) C4'-P energy: -91.324
bonds (distance) P-C4' energy: -105.352
flat angles C4'-P-C4' energy: -103.633
flat angles P-C4'-P energy: -64.932
tors. eta vs tors. theta energy: -97.680
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: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1435.632150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.632150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.632150 (E_RNA)
where:
Base-Base interactions energy: -1022.744
where: short stacking energy: -397.989
Base-Backbone interact. energy: 0.226
local terms energy: -413.114150
where:
bonds (distance) C4'-P energy: -71.911
bonds (distance) P-C4' energy: -86.124
flat angles C4'-P-C4' energy: -89.580
flat angles P-C4'-P energy: -56.639
tors. eta vs tors. theta energy: -108.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1349.011655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.011655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.011655 (E_RNA)
where:
Base-Base interactions energy: -896.541
where: short stacking energy: -403.550
Base-Backbone interact. energy: -1.334
local terms energy: -451.137119
where:
bonds (distance) C4'-P energy: -91.518
bonds (distance) P-C4' energy: -83.750
flat angles C4'-P-C4' energy: -109.518
flat angles P-C4'-P energy: -64.605
tors. eta vs tors. theta energy: -101.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -969.433517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.433517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.433517 (E_RNA)
where:
Base-Base interactions energy: -622.043
where: short stacking energy: -269.202
Base-Backbone interact. energy: 1.350
local terms energy: -348.739842
where:
bonds (distance) C4'-P energy: -79.364
bonds (distance) P-C4' energy: -98.415
flat angles C4'-P-C4' energy: -80.601
flat angles P-C4'-P energy: -40.148
tors. eta vs tors. theta energy: -50.212
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: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -661.301287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.301287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.301287 (E_RNA)
where:
Base-Base interactions energy: -333.748
where: short stacking energy: -157.061
Base-Backbone interact. energy: -0.555
local terms energy: -326.998079
where:
bonds (distance) C4'-P energy: -94.177
bonds (distance) P-C4' energy: -91.769
flat angles C4'-P-C4' energy: -69.712
flat angles P-C4'-P energy: -60.937
tors. eta vs tors. theta energy: -10.403
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: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1862.519070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.519070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.519070 (E_RNA)
where:
Base-Base interactions energy: -1333.295
where: short stacking energy: -522.855
Base-Backbone interact. energy: -2.064
local terms energy: -527.160587
where:
bonds (distance) C4'-P energy: -89.361
bonds (distance) P-C4' energy: -91.595
flat angles C4'-P-C4' energy: -116.355
flat angles P-C4'-P energy: -84.563
tors. eta vs tors. theta energy: -145.287
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: 192
Temperature: 0.950000
Total energy: -1734.394591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.394591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.394591 (E_RNA)
where:
Base-Base interactions energy: -1197.250
where: short stacking energy: -494.295
Base-Backbone interact. energy: -3.638
local terms energy: -533.507127
where:
bonds (distance) C4'-P energy: -99.896
bonds (distance) P-C4' energy: -105.443
flat angles C4'-P-C4' energy: -113.745
flat angles P-C4'-P energy: -66.862
tors. eta vs tors. theta energy: -147.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1723.683673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.683673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.683673 (E_RNA)
where:
Base-Base interactions energy: -1213.395
where: short stacking energy: -471.283
Base-Backbone interact. energy: -5.844
local terms energy: -504.443686
where:
bonds (distance) C4'-P energy: -87.352
bonds (distance) P-C4' energy: -96.851
flat angles C4'-P-C4' energy: -119.461
flat angles P-C4'-P energy: -74.234
tors. eta vs tors. theta energy: -126.546
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: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1615.325529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.325529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.325529 (E_RNA)
where:
Base-Base interactions energy: -1118.154
where: short stacking energy: -479.707
Base-Backbone interact. energy: 3.022
local terms energy: -500.193372
where:
bonds (distance) C4'-P energy: -99.029
bonds (distance) P-C4' energy: -91.228
flat angles C4'-P-C4' energy: -109.504
flat angles P-C4'-P energy: -68.876
tors. eta vs tors. theta energy: -131.557
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: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1565.274740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.274740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.274740 (E_RNA)
where:
Base-Base interactions energy: -1080.603
where: short stacking energy: -424.869
Base-Backbone interact. energy: -1.883
local terms energy: -482.788637
where:
bonds (distance) C4'-P energy: -97.264
bonds (distance) P-C4' energy: -89.691
flat angles C4'-P-C4' energy: -108.865
flat angles P-C4'-P energy: -69.519
tors. eta vs tors. theta energy: -117.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1453.447782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.447782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.447782 (E_RNA)
where:
Base-Base interactions energy: -998.140
where: short stacking energy: -408.497
Base-Backbone interact. energy: -0.320
local terms energy: -454.987464
where:
bonds (distance) C4'-P energy: -81.718
bonds (distance) P-C4' energy: -99.148
flat angles C4'-P-C4' energy: -108.362
flat angles P-C4'-P energy: -68.285
tors. eta vs tors. theta energy: -97.474
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: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1477.903752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.903752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.903752 (E_RNA)
where:
Base-Base interactions energy: -1033.027
where: short stacking energy: -430.102
Base-Backbone interact. energy: 0.578
local terms energy: -445.455062
where:
bonds (distance) C4'-P energy: -72.218
bonds (distance) P-C4' energy: -91.800
flat angles C4'-P-C4' energy: -98.260
flat angles P-C4'-P energy: -74.905
tors. eta vs tors. theta energy: -108.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1267.000245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.000245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.000245 (E_RNA)
where:
Base-Base interactions energy: -866.888
where: short stacking energy: -361.078
Base-Backbone interact. energy: 4.109
local terms energy: -404.220772
where:
bonds (distance) C4'-P energy: -86.825
bonds (distance) P-C4' energy: -88.189
flat angles C4'-P-C4' energy: -93.927
flat angles P-C4'-P energy: -61.295
tors. eta vs tors. theta energy: -73.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -943.167881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.167881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.167881 (E_RNA)
where:
Base-Base interactions energy: -601.250
where: short stacking energy: -284.817
Base-Backbone interact. energy: 0.738
local terms energy: -342.655549
where:
bonds (distance) C4'-P energy: -87.686
bonds (distance) P-C4' energy: -83.086
flat angles C4'-P-C4' energy: -74.500
flat angles P-C4'-P energy: -57.671
tors. eta vs tors. theta energy: -39.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -617.939226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.939226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.939226 (E_RNA)
where:
Base-Base interactions energy: -319.370
where: short stacking energy: -172.249
Base-Backbone interact. energy: 2.043
local terms energy: -300.612207
where:
bonds (distance) C4'-P energy: -88.794
bonds (distance) P-C4' energy: -87.778
flat angles C4'-P-C4' energy: -73.126
flat angles P-C4'-P energy: -52.234
tors. eta vs tors. theta energy: 1.321
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: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1880.749423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.749423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.749423 (E_RNA)
where:
Base-Base interactions energy: -1340.893
where: short stacking energy: -523.672
Base-Backbone interact. energy: -2.216
local terms energy: -537.640631
where:
bonds (distance) C4'-P energy: -107.815
bonds (distance) P-C4' energy: -103.184
flat angles C4'-P-C4' energy: -111.572
flat angles P-C4'-P energy: -72.757
tors. eta vs tors. theta energy: -142.313
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: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1731.208123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.208123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.208123 (E_RNA)
where:
Base-Base interactions energy: -1214.808
where: short stacking energy: -485.556
Base-Backbone interact. energy: -3.732
local terms energy: -512.668851
where:
bonds (distance) C4'-P energy: -101.790
bonds (distance) P-C4' energy: -99.321
flat angles C4'-P-C4' energy: -119.813
flat angles P-C4'-P energy: -57.342
tors. eta vs tors. theta energy: -134.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1719.860197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.860197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.860197 (E_RNA)
where:
Base-Base interactions energy: -1220.411
where: short stacking energy: -470.117
Base-Backbone interact. energy: -0.558
local terms energy: -498.891252
where:
bonds (distance) C4'-P energy: -92.891
bonds (distance) P-C4' energy: -98.037
flat angles C4'-P-C4' energy: -109.546
flat angles P-C4'-P energy: -78.496
tors. eta vs tors. theta energy: -119.921
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: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1630.066295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.066295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.066295 (E_RNA)
where:
Base-Base interactions energy: -1133.870
where: short stacking energy: -458.007
Base-Backbone interact. energy: -0.642
local terms energy: -495.554284
where:
bonds (distance) C4'-P energy: -95.735
bonds (distance) P-C4' energy: -91.868
flat angles C4'-P-C4' energy: -103.391
flat angles P-C4'-P energy: -76.267
tors. eta vs tors. theta energy: -128.294
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: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1609.342988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.342988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.342988 (E_RNA)
where:
Base-Base interactions energy: -1122.952
where: short stacking energy: -463.232
Base-Backbone interact. energy: -0.642
local terms energy: -485.749754
where:
bonds (distance) C4'-P energy: -80.382
bonds (distance) P-C4' energy: -98.330
flat angles C4'-P-C4' energy: -103.547
flat angles P-C4'-P energy: -76.317
tors. eta vs tors. theta energy: -127.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1406.125488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.125488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.125488 (E_RNA)
where:
Base-Base interactions energy: -963.113
where: short stacking energy: -383.052
Base-Backbone interact. energy: -3.359
local terms energy: -439.653495
where:
bonds (distance) C4'-P energy: -97.065
bonds (distance) P-C4' energy: -91.267
flat angles C4'-P-C4' energy: -89.062
flat angles P-C4'-P energy: -67.555
tors. eta vs tors. theta energy: -94.704
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: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1408.977215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.977215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.977215 (E_RNA)
where:
Base-Base interactions energy: -989.004
where: short stacking energy: -411.374
Base-Backbone interact. energy: -1.261
local terms energy: -418.712444
where:
bonds (distance) C4'-P energy: -83.541
bonds (distance) P-C4' energy: -88.594
flat angles C4'-P-C4' energy: -94.201
flat angles P-C4'-P energy: -65.316
tors. eta vs tors. theta energy: -87.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1257.759487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.759487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.759487 (E_RNA)
where:
Base-Base interactions energy: -868.312
where: short stacking energy: -349.244
Base-Backbone interact. energy: -2.157
local terms energy: -387.290481
where:
bonds (distance) C4'-P energy: -83.368
bonds (distance) P-C4' energy: -85.937
flat angles C4'-P-C4' energy: -91.135
flat angles P-C4'-P energy: -49.742
tors. eta vs tors. theta energy: -77.109
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: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -942.981927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.981927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.981927 (E_RNA)
where:
Base-Base interactions energy: -613.719
where: short stacking energy: -263.145
Base-Backbone interact. energy: -1.569
local terms energy: -327.694104
where:
bonds (distance) C4'-P energy: -83.251
bonds (distance) P-C4' energy: -79.227
flat angles C4'-P-C4' energy: -80.718
flat angles P-C4'-P energy: -47.174
tors. eta vs tors. theta energy: -37.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -627.176616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.176616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.176616 (E_RNA)
where:
Base-Base interactions energy: -340.369
where: short stacking energy: -185.445
Base-Backbone interact. energy: 2.898
local terms energy: -289.705449
where:
bonds (distance) C4'-P energy: -89.212
bonds (distance) P-C4' energy: -65.644
flat angles C4'-P-C4' energy: -79.076
flat angles P-C4'-P energy: -50.299
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: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1864.546755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.546755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.546755 (E_RNA)
where:
Base-Base interactions energy: -1336.347
where: short stacking energy: -516.598
Base-Backbone interact. energy: -2.675
local terms energy: -525.524650
where:
bonds (distance) C4'-P energy: -91.306
bonds (distance) P-C4' energy: -103.907
flat angles C4'-P-C4' energy: -115.039
flat angles P-C4'-P energy: -79.685
tors. eta vs tors. theta energy: -135.589
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: 194
Temperature: 0.950000
Total energy: -1774.148817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.148817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.148817 (E_RNA)
where:
Base-Base interactions energy: -1252.286
where: short stacking energy: -487.441
Base-Backbone interact. energy: -5.030
local terms energy: -516.832712
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -97.326
flat angles C4'-P-C4' energy: -116.433
flat angles P-C4'-P energy: -73.612
tors. eta vs tors. theta energy: -133.393
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: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1715.841794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.841794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.841794 (E_RNA)
where:
Base-Base interactions energy: -1192.756
where: short stacking energy: -469.696
Base-Backbone interact. energy: -3.671
local terms energy: -519.414776
where:
bonds (distance) C4'-P energy: -110.832
bonds (distance) P-C4' energy: -99.774
flat angles C4'-P-C4' energy: -116.896
flat angles P-C4'-P energy: -66.828
tors. eta vs tors. theta energy: -125.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1609.002488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.002488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.002488 (E_RNA)
where:
Base-Base interactions energy: -1124.175
where: short stacking energy: -464.572
Base-Backbone interact. energy: -2.321
local terms energy: -482.506708
where:
bonds (distance) C4'-P energy: -90.806
bonds (distance) P-C4' energy: -92.187
flat angles C4'-P-C4' energy: -114.753
flat angles P-C4'-P energy: -58.797
tors. eta vs tors. theta energy: -125.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1570.017914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.017914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.017914 (E_RNA)
where:
Base-Base interactions energy: -1107.476
where: short stacking energy: -449.307
Base-Backbone interact. energy: 0.416
local terms energy: -462.957792
where:
bonds (distance) C4'-P energy: -80.192
bonds (distance) P-C4' energy: -95.588
flat angles C4'-P-C4' energy: -109.088
flat angles P-C4'-P energy: -58.432
tors. eta vs tors. theta energy: -119.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1442.859162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.859162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.859162 (E_RNA)
where:
Base-Base interactions energy: -1003.692
where: short stacking energy: -425.563
Base-Backbone interact. energy: -1.674
local terms energy: -437.492940
where:
bonds (distance) C4'-P energy: -98.273
bonds (distance) P-C4' energy: -101.418
flat angles C4'-P-C4' energy: -97.909
flat angles P-C4'-P energy: -43.576
tors. eta vs tors. theta energy: -96.317
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: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1399.032150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.032150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.032150 (E_RNA)
where:
Base-Base interactions energy: -999.346
where: short stacking energy: -377.834
Base-Backbone interact. energy: -3.964
local terms energy: -395.722300
where:
bonds (distance) C4'-P energy: -78.672
bonds (distance) P-C4' energy: -86.817
flat angles C4'-P-C4' energy: -88.234
flat angles P-C4'-P energy: -65.070
tors. eta vs tors. theta energy: -76.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1218.430998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.430998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.430998 (E_RNA)
where:
Base-Base interactions energy: -802.839
where: short stacking energy: -357.586
Base-Backbone interact. energy: -1.288
local terms energy: -414.303824
where:
bonds (distance) C4'-P energy: -89.256
bonds (distance) P-C4' energy: -89.966
flat angles C4'-P-C4' energy: -79.740
flat angles P-C4'-P energy: -59.087
tors. eta vs tors. theta energy: -96.254
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: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -905.518744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.518744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.518744 (E_RNA)
where:
Base-Base interactions energy: -572.592
where: short stacking energy: -272.755
Base-Backbone interact. energy: -0.268
local terms energy: -332.658153
where:
bonds (distance) C4'-P energy: -82.336
bonds (distance) P-C4' energy: -79.358
flat angles C4'-P-C4' energy: -78.790
flat angles P-C4'-P energy: -52.054
tors. eta vs tors. theta energy: -40.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -627.138585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.138585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.138585 (E_RNA)
where:
Base-Base interactions energy: -313.967
where: short stacking energy: -133.752
Base-Backbone interact. energy: 4.253
local terms energy: -317.424321
where:
bonds (distance) C4'-P energy: -84.008
bonds (distance) P-C4' energy: -100.597
flat angles C4'-P-C4' energy: -75.525
flat angles P-C4'-P energy: -58.679
tors. eta vs tors. theta energy: 1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1867.617876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.617876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.617876 (E_RNA)
where:
Base-Base interactions energy: -1305.065
where: short stacking energy: -484.762
Base-Backbone interact. energy: -3.213
local terms energy: -559.340294
where:
bonds (distance) C4'-P energy: -109.001
bonds (distance) P-C4' energy: -106.301
flat angles C4'-P-C4' energy: -117.247
flat angles P-C4'-P energy: -79.951
tors. eta vs tors. theta energy: -146.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1774.801300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.801300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.801300 (E_RNA)
where:
Base-Base interactions energy: -1251.398
where: short stacking energy: -494.807
Base-Backbone interact. energy: -4.125
local terms energy: -519.278252
where:
bonds (distance) C4'-P energy: -89.521
bonds (distance) P-C4' energy: -96.093
flat angles C4'-P-C4' energy: -116.741
flat angles P-C4'-P energy: -87.286
tors. eta vs tors. theta energy: -129.637
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: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1698.921349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.921349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.921349 (E_RNA)
where:
Base-Base interactions energy: -1191.176
where: short stacking energy: -463.744
Base-Backbone interact. energy: -4.547
local terms energy: -503.198306
where:
bonds (distance) C4'-P energy: -103.577
bonds (distance) P-C4' energy: -92.490
flat angles C4'-P-C4' energy: -107.889
flat angles P-C4'-P energy: -72.066
tors. eta vs tors. theta energy: -127.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1608.583393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.583393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.583393 (E_RNA)
where:
Base-Base interactions energy: -1114.285
where: short stacking energy: -471.954
Base-Backbone interact. energy: -2.163
local terms energy: -492.135331
where:
bonds (distance) C4'-P energy: -93.575
bonds (distance) P-C4' energy: -91.175
flat angles C4'-P-C4' energy: -107.105
flat angles P-C4'-P energy: -73.838
tors. eta vs tors. theta energy: -126.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1583.089474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.089474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.089474 (E_RNA)
where:
Base-Base interactions energy: -1099.260
where: short stacking energy: -444.623
Base-Backbone interact. energy: -2.932
local terms energy: -480.897092
where:
bonds (distance) C4'-P energy: -92.694
bonds (distance) P-C4' energy: -103.175
flat angles C4'-P-C4' energy: -114.290
flat angles P-C4'-P energy: -58.534
tors. eta vs tors. theta energy: -112.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1449.688941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.688941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.688941 (E_RNA)
where:
Base-Base interactions energy: -1010.860
where: short stacking energy: -406.657
Base-Backbone interact. energy: -2.310
local terms energy: -436.518981
where:
bonds (distance) C4'-P energy: -88.310
bonds (distance) P-C4' energy: -76.388
flat angles C4'-P-C4' energy: -99.145
flat angles P-C4'-P energy: -65.860
tors. eta vs tors. theta energy: -106.816
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: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1483.994389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.994389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.994389 (E_RNA)
where:
Base-Base interactions energy: -1024.120
where: short stacking energy: -421.192
Base-Backbone interact. energy: -2.500
local terms energy: -457.374825
where:
bonds (distance) C4'-P energy: -87.424
bonds (distance) P-C4' energy: -96.767
flat angles C4'-P-C4' energy: -108.356
flat angles P-C4'-P energy: -61.514
tors. eta vs tors. theta energy: -103.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1232.788632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.788632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.788632 (E_RNA)
where:
Base-Base interactions energy: -852.473
where: short stacking energy: -374.234
Base-Backbone interact. energy: -1.624
local terms energy: -378.691870
where:
bonds (distance) C4'-P energy: -80.255
bonds (distance) P-C4' energy: -69.370
flat angles C4'-P-C4' energy: -93.268
flat angles P-C4'-P energy: -47.773
tors. eta vs tors. theta energy: -88.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -925.905088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.905088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.905088 (E_RNA)
where:
Base-Base interactions energy: -585.615
where: short stacking energy: -257.925
Base-Backbone interact. energy: -0.585
local terms energy: -339.704781
where:
bonds (distance) C4'-P energy: -64.060
bonds (distance) P-C4' energy: -100.887
flat angles C4'-P-C4' energy: -87.252
flat angles P-C4'-P energy: -55.622
tors. eta vs tors. theta energy: -31.884
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: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -593.293983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.293983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.293983 (E_RNA)
where:
Base-Base interactions energy: -292.762
where: short stacking energy: -190.201
Base-Backbone interact. energy: 1.106
local terms energy: -301.638717
where:
bonds (distance) C4'-P energy: -83.903
bonds (distance) P-C4' energy: -85.866
flat angles C4'-P-C4' energy: -80.657
flat angles P-C4'-P energy: -42.013
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1893.601528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.601528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.601528 (E_RNA)
where:
Base-Base interactions energy: -1356.476
where: short stacking energy: -508.791
Base-Backbone interact. energy: -1.655
local terms energy: -535.471078
where:
bonds (distance) C4'-P energy: -100.935
bonds (distance) P-C4' energy: -98.495
flat angles C4'-P-C4' energy: -113.909
flat angles P-C4'-P energy: -80.889
tors. eta vs tors. theta energy: -141.242
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: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1749.460152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.460152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.460152 (E_RNA)
where:
Base-Base interactions energy: -1260.601
where: short stacking energy: -485.338
Base-Backbone interact. energy: -3.528
local terms energy: -485.331194
where:
bonds (distance) C4'-P energy: -104.961
bonds (distance) P-C4' energy: -96.597
flat angles C4'-P-C4' energy: -103.170
flat angles P-C4'-P energy: -57.604
tors. eta vs tors. theta energy: -123.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1690.669648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.669648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.669648 (E_RNA)
where:
Base-Base interactions energy: -1191.792
where: short stacking energy: -490.560
Base-Backbone interact. energy: -2.078
local terms energy: -496.799880
where:
bonds (distance) C4'-P energy: -90.567
bonds (distance) P-C4' energy: -98.114
flat angles C4'-P-C4' energy: -106.250
flat angles P-C4'-P energy: -65.962
tors. eta vs tors. theta energy: -135.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1622.704991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.704991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.704991 (E_RNA)
where:
Base-Base interactions energy: -1113.435
where: short stacking energy: -456.543
Base-Backbone interact. energy: -2.364
local terms energy: -506.906889
where:
bonds (distance) C4'-P energy: -92.736
bonds (distance) P-C4' energy: -106.397
flat angles C4'-P-C4' energy: -112.301
flat angles P-C4'-P energy: -68.458
tors. eta vs tors. theta energy: -127.015
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: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1557.343792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.343792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.343792 (E_RNA)
where:
Base-Base interactions energy: -1075.268
where: short stacking energy: -456.341
Base-Backbone interact. energy: -1.522
local terms energy: -480.554155
where:
bonds (distance) C4'-P energy: -91.780
bonds (distance) P-C4' energy: -90.990
flat angles C4'-P-C4' energy: -112.236
flat angles P-C4'-P energy: -66.338
tors. eta vs tors. theta energy: -119.209
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: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1394.930931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.930931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.930931 (E_RNA)
where:
Base-Base interactions energy: -972.603
where: short stacking energy: -405.510
Base-Backbone interact. energy: -4.622
local terms energy: -417.705708
where:
bonds (distance) C4'-P energy: -77.990
bonds (distance) P-C4' energy: -78.930
flat angles C4'-P-C4' energy: -105.499
flat angles P-C4'-P energy: -65.686
tors. eta vs tors. theta energy: -89.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1463.357311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.357311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.357311 (E_RNA)
where:
Base-Base interactions energy: -1013.574
where: short stacking energy: -424.164
Base-Backbone interact. energy: -2.739
local terms energy: -447.044776
where:
bonds (distance) C4'-P energy: -90.272
bonds (distance) P-C4' energy: -93.976
flat angles C4'-P-C4' energy: -93.582
flat angles P-C4'-P energy: -60.472
tors. eta vs tors. theta energy: -108.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1248.290315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.290315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.290315 (E_RNA)
where:
Base-Base interactions energy: -849.762
where: short stacking energy: -357.238
Base-Backbone interact. energy: -0.827
local terms energy: -397.700466
where:
bonds (distance) C4'-P energy: -86.920
bonds (distance) P-C4' energy: -83.105
flat angles C4'-P-C4' energy: -98.715
flat angles P-C4'-P energy: -48.374
tors. eta vs tors. theta energy: -80.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -936.062211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.062211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.062211 (E_RNA)
where:
Base-Base interactions energy: -588.712
where: short stacking energy: -270.047
Base-Backbone interact. energy: 0.342
local terms energy: -347.692651
where:
bonds (distance) C4'-P energy: -70.706
bonds (distance) P-C4' energy: -96.496
flat angles C4'-P-C4' energy: -77.657
flat angles P-C4'-P energy: -49.107
tors. eta vs tors. theta energy: -53.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -589.454609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.454609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.454609 (E_RNA)
where:
Base-Base interactions energy: -294.125
where: short stacking energy: -158.866
Base-Backbone interact. energy: 2.638
local terms energy: -297.968336
where:
bonds (distance) C4'-P energy: -99.525
bonds (distance) P-C4' energy: -93.340
flat angles C4'-P-C4' energy: -58.894
flat angles P-C4'-P energy: -51.978
tors. eta vs tors. theta energy: 5.768
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: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1838.283750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.283750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.283750 (E_RNA)
where:
Base-Base interactions energy: -1312.831
where: short stacking energy: -526.116
Base-Backbone interact. energy: -1.547
local terms energy: -523.905773
where:
bonds (distance) C4'-P energy: -104.443
bonds (distance) P-C4' energy: -89.561
flat angles C4'-P-C4' energy: -112.770
flat angles P-C4'-P energy: -75.696
tors. eta vs tors. theta energy: -141.436
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: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1774.744799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.744799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.744799 (E_RNA)
where:
Base-Base interactions energy: -1246.587
where: short stacking energy: -503.245
Base-Backbone interact. energy: -2.779
local terms energy: -525.378950
where:
bonds (distance) C4'-P energy: -106.299
bonds (distance) P-C4' energy: -94.507
flat angles C4'-P-C4' energy: -118.132
flat angles P-C4'-P energy: -75.073
tors. eta vs tors. theta energy: -131.367
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: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1710.546267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.546267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.546267 (E_RNA)
where:
Base-Base interactions energy: -1215.551
where: short stacking energy: -485.913
Base-Backbone interact. energy: -5.573
local terms energy: -489.422451
where:
bonds (distance) C4'-P energy: -97.089
bonds (distance) P-C4' energy: -107.623
flat angles C4'-P-C4' energy: -101.425
flat angles P-C4'-P energy: -60.856
tors. eta vs tors. theta energy: -122.430
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: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1637.911859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.911859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.911859 (E_RNA)
where:
Base-Base interactions energy: -1136.734
where: short stacking energy: -436.386
Base-Backbone interact. energy: -1.072
local terms energy: -500.106243
where:
bonds (distance) C4'-P energy: -91.804
bonds (distance) P-C4' energy: -98.154
flat angles C4'-P-C4' energy: -110.159
flat angles P-C4'-P energy: -79.826
tors. eta vs tors. theta energy: -120.163
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: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1576.038815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.038815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.038815 (E_RNA)
where:
Base-Base interactions energy: -1083.318
where: short stacking energy: -457.797
Base-Backbone interact. energy: -1.976
local terms energy: -490.744815
where:
bonds (distance) C4'-P energy: -90.730
bonds (distance) P-C4' energy: -101.750
flat angles C4'-P-C4' energy: -102.585
flat angles P-C4'-P energy: -75.937
tors. eta vs tors. theta energy: -119.744
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: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1459.832710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.832710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.832710 (E_RNA)
where:
Base-Base interactions energy: -1032.925
where: short stacking energy: -418.476
Base-Backbone interact. energy: 1.906
local terms energy: -428.813818
where:
bonds (distance) C4'-P energy: -87.404
bonds (distance) P-C4' energy: -92.545
flat angles C4'-P-C4' energy: -89.990
flat angles P-C4'-P energy: -50.715
tors. eta vs tors. theta energy: -108.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1333.408155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.408155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.408155 (E_RNA)
where:
Base-Base interactions energy: -913.694
where: short stacking energy: -377.315
Base-Backbone interact. energy: 0.097
local terms energy: -419.811167
where:
bonds (distance) C4'-P energy: -81.927
bonds (distance) P-C4' energy: -95.416
flat angles C4'-P-C4' energy: -98.857
flat angles P-C4'-P energy: -60.846
tors. eta vs tors. theta energy: -82.765
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: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1218.437701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.437701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.437701 (E_RNA)
where:
Base-Base interactions energy: -840.966
where: short stacking energy: -324.569
Base-Backbone interact. energy: -1.024
local terms energy: -376.448519
where:
bonds (distance) C4'-P energy: -67.067
bonds (distance) P-C4' energy: -98.133
flat angles C4'-P-C4' energy: -90.807
flat angles P-C4'-P energy: -60.308
tors. eta vs tors. theta energy: -60.133
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: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -925.765550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.765550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.765550 (E_RNA)
where:
Base-Base interactions energy: -571.324
where: short stacking energy: -249.895
Base-Backbone interact. energy: -2.672
local terms energy: -351.769124
where:
bonds (distance) C4'-P energy: -60.491
bonds (distance) P-C4' energy: -100.110
flat angles C4'-P-C4' energy: -94.947
flat angles P-C4'-P energy: -56.068
tors. eta vs tors. theta energy: -40.153
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: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -556.991565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.991565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.991565 (E_RNA)
where:
Base-Base interactions energy: -274.697
where: short stacking energy: -172.992
Base-Backbone interact. energy: 2.931
local terms energy: -285.225661
where:
bonds (distance) C4'-P energy: -75.580
bonds (distance) P-C4' energy: -83.794
flat angles C4'-P-C4' energy: -77.424
flat angles P-C4'-P energy: -52.200
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: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1868.458662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.458662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.458662 (E_RNA)
where:
Base-Base interactions energy: -1359.336
where: short stacking energy: -531.113
Base-Backbone interact. energy: 0.912
local terms energy: -510.035111
where:
bonds (distance) C4'-P energy: -91.691
bonds (distance) P-C4' energy: -93.122
flat angles C4'-P-C4' energy: -108.851
flat angles P-C4'-P energy: -69.148
tors. eta vs tors. theta energy: -147.224
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: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1723.331767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.331767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.331767 (E_RNA)
where:
Base-Base interactions energy: -1240.421
where: short stacking energy: -497.899
Base-Backbone interact. energy: -0.932
local terms energy: -481.978434
where:
bonds (distance) C4'-P energy: -89.325
bonds (distance) P-C4' energy: -101.773
flat angles C4'-P-C4' energy: -108.748
flat angles P-C4'-P energy: -57.087
tors. eta vs tors. theta energy: -125.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1721.221598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.221598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.221598 (E_RNA)
where:
Base-Base interactions energy: -1206.137
where: short stacking energy: -472.132
Base-Backbone interact. energy: -0.843
local terms energy: -514.241598
where:
bonds (distance) C4'-P energy: -82.752
bonds (distance) P-C4' energy: -99.224
flat angles C4'-P-C4' energy: -119.724
flat angles P-C4'-P energy: -81.208
tors. eta vs tors. theta energy: -131.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1687.352771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.352771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.352771 (E_RNA)
where:
Base-Base interactions energy: -1174.136
where: short stacking energy: -503.369
Base-Backbone interact. energy: -2.468
local terms energy: -510.748460
where:
bonds (distance) C4'-P energy: -97.217
bonds (distance) P-C4' energy: -95.413
flat angles C4'-P-C4' energy: -111.315
flat angles P-C4'-P energy: -76.369
tors. eta vs tors. theta energy: -130.433
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: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1584.587736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.587736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.587736 (E_RNA)
where:
Base-Base interactions energy: -1101.042
where: short stacking energy: -446.361
Base-Backbone interact. energy: -2.472
local terms energy: -481.073282
where:
bonds (distance) C4'-P energy: -88.027
bonds (distance) P-C4' energy: -97.187
flat angles C4'-P-C4' energy: -119.629
flat angles P-C4'-P energy: -72.048
tors. eta vs tors. theta energy: -104.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1461.642657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.642657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.642657 (E_RNA)
where:
Base-Base interactions energy: -1018.740
where: short stacking energy: -405.529
Base-Backbone interact. energy: -2.252
local terms energy: -440.651119
where:
bonds (distance) C4'-P energy: -91.394
bonds (distance) P-C4' energy: -93.523
flat angles C4'-P-C4' energy: -97.639
flat angles P-C4'-P energy: -59.272
tors. eta vs tors. theta energy: -98.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1318.569871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.569871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.569871 (E_RNA)
where:
Base-Base interactions energy: -896.141
where: short stacking energy: -369.534
Base-Backbone interact. energy: -2.772
local terms energy: -419.656752
where:
bonds (distance) C4'-P energy: -96.130
bonds (distance) P-C4' energy: -91.057
flat angles C4'-P-C4' energy: -101.807
flat angles P-C4'-P energy: -49.758
tors. eta vs tors. theta energy: -80.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1270.501323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.501323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.501323 (E_RNA)
where:
Base-Base interactions energy: -876.892
where: short stacking energy: -353.816
Base-Backbone interact. energy: -0.655
local terms energy: -392.954205
where:
bonds (distance) C4'-P energy: -79.177
bonds (distance) P-C4' energy: -91.259
flat angles C4'-P-C4' energy: -96.210
flat angles P-C4'-P energy: -53.694
tors. eta vs tors. theta energy: -72.614
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: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -915.336375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.336375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.336375 (E_RNA)
where:
Base-Base interactions energy: -554.914
where: short stacking energy: -252.821
Base-Backbone interact. energy: 1.672
local terms energy: -362.093857
where:
bonds (distance) C4'-P energy: -80.150
bonds (distance) P-C4' energy: -93.798
flat angles C4'-P-C4' energy: -88.116
flat angles P-C4'-P energy: -52.306
tors. eta vs tors. theta energy: -47.725
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: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -563.971676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.971676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.971676 (E_RNA)
where:
Base-Base interactions energy: -300.379
where: short stacking energy: -158.119
Base-Backbone interact. energy: 0.539
local terms energy: -264.132142
where:
bonds (distance) C4'-P energy: -75.750
bonds (distance) P-C4' energy: -83.794
flat angles C4'-P-C4' energy: -72.019
flat angles P-C4'-P energy: -36.853
tors. eta vs tors. theta energy: 4.284
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: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1873.850564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.850564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.850564 (E_RNA)
where:
Base-Base interactions energy: -1354.601
where: short stacking energy: -541.218
Base-Backbone interact. energy: -1.389
local terms energy: -517.860636
where:
bonds (distance) C4'-P energy: -80.410
bonds (distance) P-C4' energy: -101.178
flat angles C4'-P-C4' energy: -118.677
flat angles P-C4'-P energy: -80.426
tors. eta vs tors. theta energy: -137.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1757.641652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.641652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.641652 (E_RNA)
where:
Base-Base interactions energy: -1238.909
where: short stacking energy: -489.838
Base-Backbone interact. energy: -2.031
local terms energy: -516.701571
where:
bonds (distance) C4'-P energy: -104.046
bonds (distance) P-C4' energy: -101.234
flat angles C4'-P-C4' energy: -110.212
flat angles P-C4'-P energy: -77.679
tors. eta vs tors. theta energy: -123.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1711.283000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.283000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.283000 (E_RNA)
where:
Base-Base interactions energy: -1218.568
where: short stacking energy: -480.158
Base-Backbone interact. energy: -2.340
local terms energy: -490.374790
where:
bonds (distance) C4'-P energy: -88.593
bonds (distance) P-C4' energy: -95.398
flat angles C4'-P-C4' energy: -108.152
flat angles P-C4'-P energy: -64.469
tors. eta vs tors. theta energy: -133.763
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: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1655.012058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.012058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.012058 (E_RNA)
where:
Base-Base interactions energy: -1163.312
where: short stacking energy: -489.811
Base-Backbone interact. energy: -2.091
local terms energy: -489.608981
where:
bonds (distance) C4'-P energy: -96.821
bonds (distance) P-C4' energy: -71.907
flat angles C4'-P-C4' energy: -112.569
flat angles P-C4'-P energy: -70.189
tors. eta vs tors. theta energy: -138.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1581.355363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.355363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.355363 (E_RNA)
where:
Base-Base interactions energy: -1086.208
where: short stacking energy: -442.159
Base-Backbone interact. energy: -0.669
local terms energy: -494.478264
where:
bonds (distance) C4'-P energy: -91.816
bonds (distance) P-C4' energy: -89.717
flat angles C4'-P-C4' energy: -110.722
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -126.497
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: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1504.524559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.524559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.524559 (E_RNA)
where:
Base-Base interactions energy: -1054.499
where: short stacking energy: -429.863
Base-Backbone interact. energy: -2.283
local terms energy: -447.742272
where:
bonds (distance) C4'-P energy: -77.340
bonds (distance) P-C4' energy: -86.681
flat angles C4'-P-C4' energy: -106.859
flat angles P-C4'-P energy: -64.711
tors. eta vs tors. theta energy: -112.151
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: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1345.720905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.720905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.720905 (E_RNA)
where:
Base-Base interactions energy: -932.531
where: short stacking energy: -372.078
Base-Backbone interact. energy: 0.938
local terms energy: -414.127503
where:
bonds (distance) C4'-P energy: -90.674
bonds (distance) P-C4' energy: -82.748
flat angles C4'-P-C4' energy: -97.186
flat angles P-C4'-P energy: -52.996
tors. eta vs tors. theta energy: -90.523
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: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1285.327224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.327224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.327224 (E_RNA)
where:
Base-Base interactions energy: -899.959
where: short stacking energy: -382.043
Base-Backbone interact. energy: 6.628
local terms energy: -391.995824
where:
bonds (distance) C4'-P energy: -89.225
bonds (distance) P-C4' energy: -73.180
flat angles C4'-P-C4' energy: -81.261
flat angles P-C4'-P energy: -58.822
tors. eta vs tors. theta energy: -89.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -877.558968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.558968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.558968 (E_RNA)
where:
Base-Base interactions energy: -535.163
where: short stacking energy: -262.251
Base-Backbone interact. energy: 0.944
local terms energy: -343.339209
where:
bonds (distance) C4'-P energy: -90.414
bonds (distance) P-C4' energy: -93.063
flat angles C4'-P-C4' energy: -81.069
flat angles P-C4'-P energy: -36.603
tors. eta vs tors. theta energy: -42.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -583.016792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.016792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.016792 (E_RNA)
where:
Base-Base interactions energy: -282.339
where: short stacking energy: -166.845
Base-Backbone interact. energy: 1.389
local terms energy: -302.066707
where:
bonds (distance) C4'-P energy: -88.849
bonds (distance) P-C4' energy: -84.979
flat angles C4'-P-C4' energy: -79.100
flat angles P-C4'-P energy: -49.310
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1857.263465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.263465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.263465 (E_RNA)
where:
Base-Base interactions energy: -1337.414
where: short stacking energy: -520.636
Base-Backbone interact. energy: -5.329
local terms energy: -514.520431
where:
bonds (distance) C4'-P energy: -89.113
bonds (distance) P-C4' energy: -91.798
flat angles C4'-P-C4' energy: -115.283
flat angles P-C4'-P energy: -79.863
tors. eta vs tors. theta energy: -138.464
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: 200
Temperature: 0.950000
Total energy: -1771.149578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.149578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.149578 (E_RNA)
where:
Base-Base interactions energy: -1261.614
where: short stacking energy: -496.686
Base-Backbone interact. energy: -3.958
local terms energy: -505.577506
where:
bonds (distance) C4'-P energy: -102.667
bonds (distance) P-C4' energy: -99.553
flat angles C4'-P-C4' energy: -106.658
flat angles P-C4'-P energy: -70.166
tors. eta vs tors. theta energy: -126.533
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: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1736.459027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.459027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.459027 (E_RNA)
where:
Base-Base interactions energy: -1236.974
where: short stacking energy: -461.624
Base-Backbone interact. energy: -2.513
local terms energy: -496.972003
where:
bonds (distance) C4'-P energy: -88.615
bonds (distance) P-C4' energy: -99.727
flat angles C4'-P-C4' energy: -107.990
flat angles P-C4'-P energy: -69.616
tors. eta vs tors. theta energy: -131.024
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: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1660.623619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.623619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.623619 (E_RNA)
where:
Base-Base interactions energy: -1146.788
where: short stacking energy: -460.367
Base-Backbone interact. energy: -0.837
local terms energy: -512.998389
where:
bonds (distance) C4'-P energy: -99.409
bonds (distance) P-C4' energy: -96.798
flat angles C4'-P-C4' energy: -111.117
flat angles P-C4'-P energy: -77.957
tors. eta vs tors. theta energy: -127.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1554.280833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.280833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.280833 (E_RNA)
where:
Base-Base interactions energy: -1076.136
where: short stacking energy: -440.511
Base-Backbone interact. energy: -0.911
local terms energy: -477.234337
where:
bonds (distance) C4'-P energy: -98.026
bonds (distance) P-C4' energy: -100.665
flat angles C4'-P-C4' energy: -104.693
flat angles P-C4'-P energy: -60.381
tors. eta vs tors. theta energy: -113.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1516.000454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.000454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.000454 (E_RNA)
where:
Base-Base interactions energy: -1044.114
where: short stacking energy: -416.411
Base-Backbone interact. energy: -0.665
local terms energy: -471.221805
where:
bonds (distance) C4'-P energy: -105.415
bonds (distance) P-C4' energy: -104.371
flat angles C4'-P-C4' energy: -100.922
flat angles P-C4'-P energy: -59.048
tors. eta vs tors. theta energy: -101.466
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: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1406.761551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.761551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.761551 (E_RNA)
where:
Base-Base interactions energy: -976.367
where: short stacking energy: -384.772
Base-Backbone interact. energy: -1.615
local terms energy: -428.779434
where:
bonds (distance) C4'-P energy: -80.653
bonds (distance) P-C4' energy: -101.470
flat angles C4'-P-C4' energy: -90.693
flat angles P-C4'-P energy: -59.920
tors. eta vs tors. theta energy: -96.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1284.889419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.889419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.889419 (E_RNA)
where:
Base-Base interactions energy: -885.502
where: short stacking energy: -368.167
Base-Backbone interact. energy: 0.915
local terms energy: -400.301988
where:
bonds (distance) C4'-P energy: -89.740
bonds (distance) P-C4' energy: -74.015
flat angles C4'-P-C4' energy: -93.717
flat angles P-C4'-P energy: -55.013
tors. eta vs tors. theta energy: -87.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -922.855890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.855890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.855890 (E_RNA)
where:
Base-Base interactions energy: -593.818
where: short stacking energy: -285.243
Base-Backbone interact. energy: -0.634
local terms energy: -328.403877
where:
bonds (distance) C4'-P energy: -74.657
bonds (distance) P-C4' energy: -72.906
flat angles C4'-P-C4' energy: -76.874
flat angles P-C4'-P energy: -50.069
tors. eta vs tors. theta energy: -53.898
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: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -598.762371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.762371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.762371 (E_RNA)
where:
Base-Base interactions energy: -308.456
where: short stacking energy: -176.300
Base-Backbone interact. energy: -3.028
local terms energy: -287.278191
where:
bonds (distance) C4'-P energy: -76.146
bonds (distance) P-C4' energy: -94.155
flat angles C4'-P-C4' energy: -79.137
flat angles P-C4'-P energy: -48.009
tors. eta vs tors. theta energy: 10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1884.259685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.259685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.259685 (E_RNA)
where:
Base-Base interactions energy: -1342.827
where: short stacking energy: -517.846
Base-Backbone interact. energy: -1.566
local terms energy: -539.867133
where:
bonds (distance) C4'-P energy: -101.901
bonds (distance) P-C4' energy: -99.726
flat angles C4'-P-C4' energy: -109.729
flat angles P-C4'-P energy: -78.068
tors. eta vs tors. theta energy: -150.443
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: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1745.748338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.748338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.748338 (E_RNA)
where:
Base-Base interactions energy: -1213.628
where: short stacking energy: -483.312
Base-Backbone interact. energy: -4.467
local terms energy: -527.652638
where:
bonds (distance) C4'-P energy: -94.477
bonds (distance) P-C4' energy: -97.310
flat angles C4'-P-C4' energy: -108.653
flat angles P-C4'-P energy: -80.926
tors. eta vs tors. theta energy: -146.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1759.971763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.971763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.971763 (E_RNA)
where:
Base-Base interactions energy: -1238.759
where: short stacking energy: -495.592
Base-Backbone interact. energy: -3.084
local terms energy: -518.128078
where:
bonds (distance) C4'-P energy: -97.795
bonds (distance) P-C4' energy: -100.198
flat angles C4'-P-C4' energy: -109.353
flat angles P-C4'-P energy: -77.300
tors. eta vs tors. theta energy: -133.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1653.207483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.207483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.207483 (E_RNA)
where:
Base-Base interactions energy: -1134.896
where: short stacking energy: -482.674
Base-Backbone interact. energy: -2.488
local terms energy: -515.823303
where:
bonds (distance) C4'-P energy: -100.346
bonds (distance) P-C4' energy: -88.476
flat angles C4'-P-C4' energy: -113.277
flat angles P-C4'-P energy: -79.510
tors. eta vs tors. theta energy: -134.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1569.239249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.239249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.239249 (E_RNA)
where:
Base-Base interactions energy: -1076.057
where: short stacking energy: -453.555
Base-Backbone interact. energy: -0.544
local terms energy: -492.638496
where:
bonds (distance) C4'-P energy: -78.356
bonds (distance) P-C4' energy: -99.221
flat angles C4'-P-C4' energy: -110.435
flat angles P-C4'-P energy: -81.073
tors. eta vs tors. theta energy: -123.554
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: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1478.293469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.293469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.293469 (E_RNA)
where:
Base-Base interactions energy: -1034.023
where: short stacking energy: -416.432
Base-Backbone interact. energy: -3.507
local terms energy: -440.763239
where:
bonds (distance) C4'-P energy: -81.404
bonds (distance) P-C4' energy: -88.477
flat angles C4'-P-C4' energy: -107.024
flat angles P-C4'-P energy: -63.189
tors. eta vs tors. theta energy: -100.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1269.406351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.406351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.406351 (E_RNA)
where:
Base-Base interactions energy: -869.249
where: short stacking energy: -362.645
Base-Backbone interact. energy: -1.162
local terms energy: -398.994756
where:
bonds (distance) C4'-P energy: -85.082
bonds (distance) P-C4' energy: -91.028
flat angles C4'-P-C4' energy: -89.159
flat angles P-C4'-P energy: -46.920
tors. eta vs tors. theta energy: -86.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1278.731038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.731038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.731038 (E_RNA)
where:
Base-Base interactions energy: -898.763
where: short stacking energy: -366.647
Base-Backbone interact. energy: -0.328
local terms energy: -379.640292
where:
bonds (distance) C4'-P energy: -71.089
bonds (distance) P-C4' energy: -88.339
flat angles C4'-P-C4' energy: -81.697
flat angles P-C4'-P energy: -56.551
tors. eta vs tors. theta energy: -81.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -922.928954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.928954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.928954 (E_RNA)
where:
Base-Base interactions energy: -585.964
where: short stacking energy: -268.884
Base-Backbone interact. energy: -1.978
local terms energy: -334.986550
where:
bonds (distance) C4'-P energy: -80.307
bonds (distance) P-C4' energy: -68.392
flat angles C4'-P-C4' energy: -96.026
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -38.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -589.598142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.598142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.598142 (E_RNA)
where:
Base-Base interactions energy: -277.746
where: short stacking energy: -164.702
Base-Backbone interact. energy: 2.577
local terms energy: -314.428967
where:
bonds (distance) C4'-P energy: -95.476
bonds (distance) P-C4' energy: -101.955
flat angles C4'-P-C4' energy: -68.896
flat angles P-C4'-P energy: -44.649
tors. eta vs tors. theta energy: -3.454
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: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1858.887306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.887306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.887306 (E_RNA)
where:
Base-Base interactions energy: -1328.795
where: short stacking energy: -541.728
Base-Backbone interact. energy: -5.857
local terms energy: -524.235839
where:
bonds (distance) C4'-P energy: -90.444
bonds (distance) P-C4' energy: -96.038
flat angles C4'-P-C4' energy: -115.180
flat angles P-C4'-P energy: -72.706
tors. eta vs tors. theta energy: -149.868
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: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1765.369737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.369737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.369737 (E_RNA)
where:
Base-Base interactions energy: -1256.941
where: short stacking energy: -513.449
Base-Backbone interact. energy: 3.505
local terms energy: -511.934516
where:
bonds (distance) C4'-P energy: -97.281
bonds (distance) P-C4' energy: -100.337
flat angles C4'-P-C4' energy: -108.507
flat angles P-C4'-P energy: -71.459
tors. eta vs tors. theta energy: -134.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1724.835449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.835449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.835449 (E_RNA)
where:
Base-Base interactions energy: -1224.269
where: short stacking energy: -497.737
Base-Backbone interact. energy: 1.140
local terms energy: -501.707269
where:
bonds (distance) C4'-P energy: -85.197
bonds (distance) P-C4' energy: -94.309
flat angles C4'-P-C4' energy: -112.318
flat angles P-C4'-P energy: -76.965
tors. eta vs tors. theta energy: -132.919
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: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1650.963853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.963853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.963853 (E_RNA)
where:
Base-Base interactions energy: -1140.434
where: short stacking energy: -471.455
Base-Backbone interact. energy: 3.353
local terms energy: -513.882603
where:
bonds (distance) C4'-P energy: -101.434
bonds (distance) P-C4' energy: -95.584
flat angles C4'-P-C4' energy: -102.826
flat angles P-C4'-P energy: -85.236
tors. eta vs tors. theta energy: -128.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1589.419774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.419774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.419774 (E_RNA)
where:
Base-Base interactions energy: -1103.377
where: short stacking energy: -442.300
Base-Backbone interact. energy: -3.283
local terms energy: -482.759500
where:
bonds (distance) C4'-P energy: -83.525
bonds (distance) P-C4' energy: -100.731
flat angles C4'-P-C4' energy: -105.150
flat angles P-C4'-P energy: -68.986
tors. eta vs tors. theta energy: -124.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1498.508159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.508159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.508159 (E_RNA)
where:
Base-Base interactions energy: -1040.796
where: short stacking energy: -414.624
Base-Backbone interact. energy: -0.695
local terms energy: -457.016953
where:
bonds (distance) C4'-P energy: -90.918
bonds (distance) P-C4' energy: -97.504
flat angles C4'-P-C4' energy: -102.608
flat angles P-C4'-P energy: -59.337
tors. eta vs tors. theta energy: -106.650
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: 202
Temperature: 1.200000
Total energy: -1336.678333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.678333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.678333 (E_RNA)
where:
Base-Base interactions energy: -931.668
where: short stacking energy: -386.712
Base-Backbone interact. energy: -1.252
local terms energy: -403.758340
where:
bonds (distance) C4'-P energy: -86.914
bonds (distance) P-C4' energy: -80.890
flat angles C4'-P-C4' energy: -88.647
flat angles P-C4'-P energy: -61.712
tors. eta vs tors. theta energy: -85.595
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: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1247.952700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.952700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.952700 (E_RNA)
where:
Base-Base interactions energy: -858.011
where: short stacking energy: -341.729
Base-Backbone interact. energy: -1.324
local terms energy: -388.617060
where:
bonds (distance) C4'-P energy: -74.932
bonds (distance) P-C4' energy: -73.689
flat angles C4'-P-C4' energy: -90.936
flat angles P-C4'-P energy: -67.439
tors. eta vs tors. theta energy: -81.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -963.761550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.761550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.761550 (E_RNA)
where:
Base-Base interactions energy: -628.956
where: short stacking energy: -270.970
Base-Backbone interact. energy: -2.380
local terms energy: -332.424770
where:
bonds (distance) C4'-P energy: -83.711
bonds (distance) P-C4' energy: -80.831
flat angles C4'-P-C4' energy: -78.366
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -46.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -578.708367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.708367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.708367 (E_RNA)
where:
Base-Base interactions energy: -299.814
where: short stacking energy: -166.665
Base-Backbone interact. energy: -2.424
local terms energy: -276.469798
where:
bonds (distance) C4'-P energy: -66.814
bonds (distance) P-C4' energy: -94.548
flat angles C4'-P-C4' energy: -84.395
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1902.938392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.938392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.938392 (E_RNA)
where:
Base-Base interactions energy: -1357.818
where: short stacking energy: -532.325
Base-Backbone interact. energy: -2.232
local terms energy: -542.887882
where:
bonds (distance) C4'-P energy: -98.088
bonds (distance) P-C4' energy: -112.102
flat angles C4'-P-C4' energy: -117.782
flat angles P-C4'-P energy: -71.251
tors. eta vs tors. theta energy: -143.665
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: 203
Temperature: 0.950000
Total energy: -1771.062573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.062573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.062573 (E_RNA)
where:
Base-Base interactions energy: -1268.002
where: short stacking energy: -494.089
Base-Backbone interact. energy: -4.652
local terms energy: -498.408829
where:
bonds (distance) C4'-P energy: -89.140
bonds (distance) P-C4' energy: -99.229
flat angles C4'-P-C4' energy: -114.396
flat angles P-C4'-P energy: -69.720
tors. eta vs tors. theta energy: -125.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1721.736585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.736585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.736585 (E_RNA)
where:
Base-Base interactions energy: -1214.001
where: short stacking energy: -490.711
Base-Backbone interact. energy: -3.457
local terms energy: -504.278353
where:
bonds (distance) C4'-P energy: -97.128
bonds (distance) P-C4' energy: -93.164
flat angles C4'-P-C4' energy: -104.711
flat angles P-C4'-P energy: -70.149
tors. eta vs tors. theta energy: -139.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1629.943815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.943815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.943815 (E_RNA)
where:
Base-Base interactions energy: -1123.886
where: short stacking energy: -483.938
Base-Backbone interact. energy: -1.252
local terms energy: -504.805731
where:
bonds (distance) C4'-P energy: -92.307
bonds (distance) P-C4' energy: -99.928
flat angles C4'-P-C4' energy: -105.054
flat angles P-C4'-P energy: -70.161
tors. eta vs tors. theta energy: -137.357
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: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1585.531967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.531967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.531967 (E_RNA)
where:
Base-Base interactions energy: -1106.957
where: short stacking energy: -446.007
Base-Backbone interact. energy: -1.066
local terms energy: -477.508766
where:
bonds (distance) C4'-P energy: -98.467
bonds (distance) P-C4' energy: -78.591
flat angles C4'-P-C4' energy: -104.457
flat angles P-C4'-P energy: -75.901
tors. eta vs tors. theta energy: -120.092
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: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1474.333566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.333566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.333566 (E_RNA)
where:
Base-Base interactions energy: -1008.766
where: short stacking energy: -422.713
Base-Backbone interact. energy: -4.422
local terms energy: -461.145539
where:
bonds (distance) C4'-P energy: -87.896
bonds (distance) P-C4' energy: -96.682
flat angles C4'-P-C4' energy: -104.462
flat angles P-C4'-P energy: -61.391
tors. eta vs tors. theta energy: -110.714
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: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1338.971718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.971718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.971718 (E_RNA)
where:
Base-Base interactions energy: -923.131
where: short stacking energy: -375.715
Base-Backbone interact. energy: -1.248
local terms energy: -414.592973
where:
bonds (distance) C4'-P energy: -76.870
bonds (distance) P-C4' energy: -94.145
flat angles C4'-P-C4' energy: -83.325
flat angles P-C4'-P energy: -62.263
tors. eta vs tors. theta energy: -97.990
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: 203
Temperature: 1.250000
Total energy: -1238.149698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.149698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.149698 (E_RNA)
where:
Base-Base interactions energy: -834.834
where: short stacking energy: -340.426
Base-Backbone interact. energy: -3.404
local terms energy: -399.911893
where:
bonds (distance) C4'-P energy: -86.873
bonds (distance) P-C4' energy: -84.188
flat angles C4'-P-C4' energy: -85.010
flat angles P-C4'-P energy: -69.562
tors. eta vs tors. theta energy: -74.279
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: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -924.975617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.975617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.975617 (E_RNA)
where:
Base-Base interactions energy: -578.782
where: short stacking energy: -248.225
Base-Backbone interact. energy: -1.429
local terms energy: -344.763768
where:
bonds (distance) C4'-P energy: -93.158
bonds (distance) P-C4' energy: -79.847
flat angles C4'-P-C4' energy: -67.389
flat angles P-C4'-P energy: -59.340
tors. eta vs tors. theta energy: -45.030
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: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -539.717012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.717012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.717012 (E_RNA)
where:
Base-Base interactions energy: -247.065
where: short stacking energy: -150.001
Base-Backbone interact. energy: -0.729
local terms energy: -291.922523
where:
bonds (distance) C4'-P energy: -86.947
bonds (distance) P-C4' energy: -93.399
flat angles C4'-P-C4' energy: -74.186
flat angles P-C4'-P energy: -40.181
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: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1855.739792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.739792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.739792 (E_RNA)
where:
Base-Base interactions energy: -1331.761
where: short stacking energy: -507.311
Base-Backbone interact. energy: -2.698
local terms energy: -521.280750
where:
bonds (distance) C4'-P energy: -95.218
bonds (distance) P-C4' energy: -97.979
flat angles C4'-P-C4' energy: -113.936
flat angles P-C4'-P energy: -66.309
tors. eta vs tors. theta energy: -147.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1804.956038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.956038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.956038 (E_RNA)
where:
Base-Base interactions energy: -1296.080
where: short stacking energy: -507.685
Base-Backbone interact. energy: -2.103
local terms energy: -506.772439
where:
bonds (distance) C4'-P energy: -99.995
bonds (distance) P-C4' energy: -94.885
flat angles C4'-P-C4' energy: -116.658
flat angles P-C4'-P energy: -61.708
tors. eta vs tors. theta energy: -133.526
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: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1735.128799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.128799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.128799 (E_RNA)
where:
Base-Base interactions energy: -1236.043
where: short stacking energy: -498.927
Base-Backbone interact. energy: -1.608
local terms energy: -497.477455
where:
bonds (distance) C4'-P energy: -92.774
bonds (distance) P-C4' energy: -93.093
flat angles C4'-P-C4' energy: -102.991
flat angles P-C4'-P energy: -75.533
tors. eta vs tors. theta energy: -133.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1635.281988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.281988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.281988 (E_RNA)
where:
Base-Base interactions energy: -1129.783
where: short stacking energy: -458.468
Base-Backbone interact. energy: -1.234
local terms energy: -504.265033
where:
bonds (distance) C4'-P energy: -106.503
bonds (distance) P-C4' energy: -100.379
flat angles C4'-P-C4' energy: -98.100
flat angles P-C4'-P energy: -65.009
tors. eta vs tors. theta energy: -134.273
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: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1572.526639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.526639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.526639 (E_RNA)
where:
Base-Base interactions energy: -1104.806
where: short stacking energy: -464.147
Base-Backbone interact. energy: -1.193
local terms energy: -466.527490
where:
bonds (distance) C4'-P energy: -65.845
bonds (distance) P-C4' energy: -100.286
flat angles C4'-P-C4' energy: -114.571
flat angles P-C4'-P energy: -59.158
tors. eta vs tors. theta energy: -126.668
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: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1512.737968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.737968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.737968 (E_RNA)
where:
Base-Base interactions energy: -1059.586
where: short stacking energy: -442.177
Base-Backbone interact. energy: -2.709
local terms energy: -450.442792
where:
bonds (distance) C4'-P energy: -73.799
bonds (distance) P-C4' energy: -91.870
flat angles C4'-P-C4' energy: -96.896
flat angles P-C4'-P energy: -63.723
tors. eta vs tors. theta energy: -124.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1306.408368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.408368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.408368 (E_RNA)
where:
Base-Base interactions energy: -883.240
where: short stacking energy: -368.279
Base-Backbone interact. energy: -1.866
local terms energy: -421.302418
where:
bonds (distance) C4'-P energy: -88.050
bonds (distance) P-C4' energy: -90.095
flat angles C4'-P-C4' energy: -100.773
flat angles P-C4'-P energy: -62.473
tors. eta vs tors. theta energy: -79.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1265.574477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.574477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.574477 (E_RNA)
where:
Base-Base interactions energy: -861.162
where: short stacking energy: -379.276
Base-Backbone interact. energy: -2.027
local terms energy: -402.385891
where:
bonds (distance) C4'-P energy: -82.413
bonds (distance) P-C4' energy: -75.578
flat angles C4'-P-C4' energy: -101.269
flat angles P-C4'-P energy: -56.540
tors. eta vs tors. theta energy: -86.586
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: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -933.517308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.517308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.517308 (E_RNA)
where:
Base-Base interactions energy: -578.263
where: short stacking energy: -286.794
Base-Backbone interact. energy: -1.295
local terms energy: -353.959159
where:
bonds (distance) C4'-P energy: -78.538
bonds (distance) P-C4' energy: -86.523
flat angles C4'-P-C4' energy: -80.430
flat angles P-C4'-P energy: -55.779
tors. eta vs tors. theta energy: -52.689
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: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -569.772311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.772311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.772311 (E_RNA)
where:
Base-Base interactions energy: -272.719
where: short stacking energy: -165.591
Base-Backbone interact. energy: 0.577
local terms energy: -297.630217
where:
bonds (distance) C4'-P energy: -81.544
bonds (distance) P-C4' energy: -78.738
flat angles C4'-P-C4' energy: -73.382
flat angles P-C4'-P energy: -59.160
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1855.082992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.082992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.082992 (E_RNA)
where:
Base-Base interactions energy: -1328.342
where: short stacking energy: -500.561
Base-Backbone interact. energy: -2.800
local terms energy: -523.941526
where:
bonds (distance) C4'-P energy: -96.415
bonds (distance) P-C4' energy: -107.402
flat angles C4'-P-C4' energy: -122.928
flat angles P-C4'-P energy: -56.547
tors. eta vs tors. theta energy: -140.651
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: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1792.165757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.165757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.165757 (E_RNA)
where:
Base-Base interactions energy: -1268.992
where: short stacking energy: -498.607
Base-Backbone interact. energy: -4.209
local terms energy: -518.964520
where:
bonds (distance) C4'-P energy: -96.736
bonds (distance) P-C4' energy: -101.038
flat angles C4'-P-C4' energy: -105.786
flat angles P-C4'-P energy: -80.016
tors. eta vs tors. theta energy: -135.389
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: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1720.099111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.099111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.099111 (E_RNA)
where:
Base-Base interactions energy: -1199.845
where: short stacking energy: -497.690
Base-Backbone interact. energy: -2.736
local terms energy: -517.517934
where:
bonds (distance) C4'-P energy: -94.700
bonds (distance) P-C4' energy: -107.703
flat angles C4'-P-C4' energy: -105.493
flat angles P-C4'-P energy: -77.695
tors. eta vs tors. theta energy: -131.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1643.980751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.980751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.980751 (E_RNA)
where:
Base-Base interactions energy: -1130.823
where: short stacking energy: -478.083
Base-Backbone interact. energy: -1.509
local terms energy: -511.648602
where:
bonds (distance) C4'-P energy: -98.476
bonds (distance) P-C4' energy: -103.411
flat angles C4'-P-C4' energy: -105.655
flat angles P-C4'-P energy: -72.297
tors. eta vs tors. theta energy: -131.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1578.206740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.206740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.206740 (E_RNA)
where:
Base-Base interactions energy: -1103.012
where: short stacking energy: -464.297
Base-Backbone interact. energy: 0.194
local terms energy: -475.388611
where:
bonds (distance) C4'-P energy: -91.249
bonds (distance) P-C4' energy: -91.058
flat angles C4'-P-C4' energy: -101.742
flat angles P-C4'-P energy: -73.164
tors. eta vs tors. theta energy: -118.176
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: 205
Temperature: 1.150000
Total energy: -1507.355465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.355465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.355465 (E_RNA)
where:
Base-Base interactions energy: -1071.633
where: short stacking energy: -470.742
Base-Backbone interact. energy: -2.476
local terms energy: -433.246649
where:
bonds (distance) C4'-P energy: -85.560
bonds (distance) P-C4' energy: -76.486
flat angles C4'-P-C4' energy: -101.317
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -122.818
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: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1318.989496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.989496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.989496 (E_RNA)
where:
Base-Base interactions energy: -889.471
where: short stacking energy: -371.782
Base-Backbone interact. energy: 3.849
local terms energy: -433.368031
where:
bonds (distance) C4'-P energy: -82.355
bonds (distance) P-C4' energy: -86.927
flat angles C4'-P-C4' energy: -100.280
flat angles P-C4'-P energy: -66.690
tors. eta vs tors. theta energy: -97.116
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: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1306.014272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.014272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.014272 (E_RNA)
where:
Base-Base interactions energy: -907.696
where: short stacking energy: -376.705
Base-Backbone interact. energy: -1.358
local terms energy: -396.960363
where:
bonds (distance) C4'-P energy: -78.716
bonds (distance) P-C4' energy: -77.623
flat angles C4'-P-C4' energy: -93.722
flat angles P-C4'-P energy: -55.511
tors. eta vs tors. theta energy: -91.388
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: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -942.159792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.159792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.159792 (E_RNA)
where:
Base-Base interactions energy: -594.695
where: short stacking energy: -286.286
Base-Backbone interact. energy: -1.943
local terms energy: -345.521387
where:
bonds (distance) C4'-P energy: -68.804
bonds (distance) P-C4' energy: -89.117
flat angles C4'-P-C4' energy: -84.209
flat angles P-C4'-P energy: -48.656
tors. eta vs tors. theta energy: -54.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -572.056213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.056213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.056213 (E_RNA)
where:
Base-Base interactions energy: -294.227
where: short stacking energy: -169.151
Base-Backbone interact. energy: 9.448
local terms energy: -287.277710
where:
bonds (distance) C4'-P energy: -82.994
bonds (distance) P-C4' energy: -96.288
flat angles C4'-P-C4' energy: -69.203
flat angles P-C4'-P energy: -49.971
tors. eta vs tors. theta energy: 11.178
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: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1876.957378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.957378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.957378 (E_RNA)
where:
Base-Base interactions energy: -1373.502
where: short stacking energy: -543.146
Base-Backbone interact. energy: -0.137
local terms energy: -503.318286
where:
bonds (distance) C4'-P energy: -93.684
bonds (distance) P-C4' energy: -76.591
flat angles C4'-P-C4' energy: -113.955
flat angles P-C4'-P energy: -74.268
tors. eta vs tors. theta energy: -144.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1760.153186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.153186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.153186 (E_RNA)
where:
Base-Base interactions energy: -1222.184
where: short stacking energy: -477.855
Base-Backbone interact. energy: -3.525
local terms energy: -534.444771
where:
bonds (distance) C4'-P energy: -115.283
bonds (distance) P-C4' energy: -108.230
flat angles C4'-P-C4' energy: -115.367
flat angles P-C4'-P energy: -71.176
tors. eta vs tors. theta energy: -124.389
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: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1749.642612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.642612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.642612 (E_RNA)
where:
Base-Base interactions energy: -1244.618
where: short stacking energy: -509.605
Base-Backbone interact. energy: -1.974
local terms energy: -503.050824
where:
bonds (distance) C4'-P energy: -94.785
bonds (distance) P-C4' energy: -98.082
flat angles C4'-P-C4' energy: -106.289
flat angles P-C4'-P energy: -65.064
tors. eta vs tors. theta energy: -138.831
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: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1641.993572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.993572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.993572 (E_RNA)
where:
Base-Base interactions energy: -1141.673
where: short stacking energy: -486.085
Base-Backbone interact. energy: 0.098
local terms energy: -500.418727
where:
bonds (distance) C4'-P energy: -100.967
bonds (distance) P-C4' energy: -95.412
flat angles C4'-P-C4' energy: -113.310
flat angles P-C4'-P energy: -65.150
tors. eta vs tors. theta energy: -125.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1555.955992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.955992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.955992 (E_RNA)
where:
Base-Base interactions energy: -1110.394
where: short stacking energy: -449.904
Base-Backbone interact. energy: -1.654
local terms energy: -443.907745
where:
bonds (distance) C4'-P energy: -70.019
bonds (distance) P-C4' energy: -78.931
flat angles C4'-P-C4' energy: -105.579
flat angles P-C4'-P energy: -80.464
tors. eta vs tors. theta energy: -108.914
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1468.460685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.460685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.460685 (E_RNA)
where:
Base-Base interactions energy: -1027.501
where: short stacking energy: -416.690
Base-Backbone interact. energy: -1.972
local terms energy: -438.986941
where:
bonds (distance) C4'-P energy: -71.093
bonds (distance) P-C4' energy: -101.117
flat angles C4'-P-C4' energy: -110.996
flat angles P-C4'-P energy: -58.250
tors. eta vs tors. theta energy: -97.532
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: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1341.753403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.753403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.753403 (E_RNA)
where:
Base-Base interactions energy: -919.271
where: short stacking energy: -368.713
Base-Backbone interact. energy: -1.534
local terms energy: -420.948118
where:
bonds (distance) C4'-P energy: -84.336
bonds (distance) P-C4' energy: -87.023
flat angles C4'-P-C4' energy: -90.129
flat angles P-C4'-P energy: -71.279
tors. eta vs tors. theta energy: -88.182
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: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1230.865408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.865408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.865408 (E_RNA)
where:
Base-Base interactions energy: -858.536
where: short stacking energy: -356.575
Base-Backbone interact. energy: -0.799
local terms energy: -371.530037
where:
bonds (distance) C4'-P energy: -96.768
bonds (distance) P-C4' energy: -78.304
flat angles C4'-P-C4' energy: -88.743
flat angles P-C4'-P energy: -45.282
tors. eta vs tors. theta energy: -62.433
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: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -953.015271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.015271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.015271 (E_RNA)
where:
Base-Base interactions energy: -596.171
where: short stacking energy: -296.190
Base-Backbone interact. energy: 0.660
local terms energy: -357.503934
where:
bonds (distance) C4'-P energy: -86.824
bonds (distance) P-C4' energy: -79.606
flat angles C4'-P-C4' energy: -94.862
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -58.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -580.420841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.420841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.420841 (E_RNA)
where:
Base-Base interactions energy: -288.592
where: short stacking energy: -155.889
Base-Backbone interact. energy: 1.202
local terms energy: -293.031545
where:
bonds (distance) C4'-P energy: -80.652
bonds (distance) P-C4' energy: -85.389
flat angles C4'-P-C4' energy: -73.341
flat angles P-C4'-P energy: -40.766
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1853.335021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.335021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.335021 (E_RNA)
where:
Base-Base interactions energy: -1316.061
where: short stacking energy: -520.028
Base-Backbone interact. energy: -2.413
local terms energy: -534.860701
where:
bonds (distance) C4'-P energy: -110.269
bonds (distance) P-C4' energy: -101.659
flat angles C4'-P-C4' energy: -113.430
flat angles P-C4'-P energy: -72.175
tors. eta vs tors. theta energy: -137.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1779.645173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.645173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.645173 (E_RNA)
where:
Base-Base interactions energy: -1263.847
where: short stacking energy: -491.678
Base-Backbone interact. energy: 0.143
local terms energy: -515.941338
where:
bonds (distance) C4'-P energy: -95.420
bonds (distance) P-C4' energy: -103.895
flat angles C4'-P-C4' energy: -112.109
flat angles P-C4'-P energy: -75.406
tors. eta vs tors. theta energy: -129.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1727.984173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.984173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.984173 (E_RNA)
where:
Base-Base interactions energy: -1229.527
where: short stacking energy: -491.309
Base-Backbone interact. energy: -2.030
local terms energy: -496.426797
where:
bonds (distance) C4'-P energy: -87.376
bonds (distance) P-C4' energy: -83.219
flat angles C4'-P-C4' energy: -108.611
flat angles P-C4'-P energy: -85.114
tors. eta vs tors. theta energy: -132.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1619.842681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.842681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.842681 (E_RNA)
where:
Base-Base interactions energy: -1132.597
where: short stacking energy: -468.677
Base-Backbone interact. energy: -4.396
local terms energy: -482.849644
where:
bonds (distance) C4'-P energy: -99.851
bonds (distance) P-C4' energy: -93.824
flat angles C4'-P-C4' energy: -110.042
flat angles P-C4'-P energy: -63.290
tors. eta vs tors. theta energy: -115.843
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: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1594.815876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.815876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.815876 (E_RNA)
where:
Base-Base interactions energy: -1135.861
where: short stacking energy: -474.352
Base-Backbone interact. energy: 1.357
local terms energy: -460.312335
where:
bonds (distance) C4'-P energy: -70.105
bonds (distance) P-C4' energy: -98.404
flat angles C4'-P-C4' energy: -98.550
flat angles P-C4'-P energy: -66.544
tors. eta vs tors. theta energy: -126.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1507.333085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.333085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.333085 (E_RNA)
where:
Base-Base interactions energy: -1029.602
where: short stacking energy: -413.184
Base-Backbone interact. energy: -2.579
local terms energy: -475.152168
where:
bonds (distance) C4'-P energy: -82.821
bonds (distance) P-C4' energy: -111.521
flat angles C4'-P-C4' energy: -103.769
flat angles P-C4'-P energy: -72.365
tors. eta vs tors. theta energy: -104.675
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: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1382.033692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.033692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.033692 (E_RNA)
where:
Base-Base interactions energy: -968.460
where: short stacking energy: -394.975
Base-Backbone interact. energy: -1.506
local terms energy: -412.067722
where:
bonds (distance) C4'-P energy: -73.616
bonds (distance) P-C4' energy: -82.924
flat angles C4'-P-C4' energy: -93.472
flat angles P-C4'-P energy: -58.930
tors. eta vs tors. theta energy: -103.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1185.824365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.824365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.824365 (E_RNA)
where:
Base-Base interactions energy: -810.736
where: short stacking energy: -322.618
Base-Backbone interact. energy: 0.523
local terms energy: -375.612055
where:
bonds (distance) C4'-P energy: -85.859
bonds (distance) P-C4' energy: -93.035
flat angles C4'-P-C4' energy: -88.915
flat angles P-C4'-P energy: -44.436
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: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -990.778236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.778236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.778236 (E_RNA)
where:
Base-Base interactions energy: -630.177
where: short stacking energy: -292.363
Base-Backbone interact. energy: 4.422
local terms energy: -365.023701
where:
bonds (distance) C4'-P energy: -88.167
bonds (distance) P-C4' energy: -86.167
flat angles C4'-P-C4' energy: -88.715
flat angles P-C4'-P energy: -43.584
tors. eta vs tors. theta energy: -58.391
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: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -614.286206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.286206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.286206 (E_RNA)
where:
Base-Base interactions energy: -330.773
where: short stacking energy: -161.702
Base-Backbone interact. energy: -3.754
local terms energy: -279.758743
where:
bonds (distance) C4'-P energy: -68.177
bonds (distance) P-C4' energy: -84.879
flat angles C4'-P-C4' energy: -76.902
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -4.448
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: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1892.149696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.149696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.149696 (E_RNA)
where:
Base-Base interactions energy: -1339.173
where: short stacking energy: -530.913
Base-Backbone interact. energy: -3.261
local terms energy: -549.716099
where:
bonds (distance) C4'-P energy: -105.557
bonds (distance) P-C4' energy: -98.111
flat angles C4'-P-C4' energy: -123.684
flat angles P-C4'-P energy: -77.905
tors. eta vs tors. theta energy: -144.459
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: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1792.218740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.218740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.218740 (E_RNA)
where:
Base-Base interactions energy: -1255.894
where: short stacking energy: -484.063
Base-Backbone interact. energy: -2.111
local terms energy: -534.213534
where:
bonds (distance) C4'-P energy: -100.985
bonds (distance) P-C4' energy: -105.530
flat angles C4'-P-C4' energy: -117.947
flat angles P-C4'-P energy: -81.471
tors. eta vs tors. theta energy: -128.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1682.050437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.050437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.050437 (E_RNA)
where:
Base-Base interactions energy: -1183.428
where: short stacking energy: -470.513
Base-Backbone interact. energy: -2.402
local terms energy: -496.219875
where:
bonds (distance) C4'-P energy: -88.484
bonds (distance) P-C4' energy: -104.133
flat angles C4'-P-C4' energy: -106.172
flat angles P-C4'-P energy: -67.219
tors. eta vs tors. theta energy: -130.213
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: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1633.345320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.345320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.345320 (E_RNA)
where:
Base-Base interactions energy: -1163.051
where: short stacking energy: -452.558
Base-Backbone interact. energy: -2.247
local terms energy: -468.047880
where:
bonds (distance) C4'-P energy: -93.873
bonds (distance) P-C4' energy: -81.965
flat angles C4'-P-C4' energy: -107.620
flat angles P-C4'-P energy: -68.940
tors. eta vs tors. theta energy: -115.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1566.153972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.153972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.153972 (E_RNA)
where:
Base-Base interactions energy: -1090.988
where: short stacking energy: -451.356
Base-Backbone interact. energy: 0.763
local terms energy: -475.928929
where:
bonds (distance) C4'-P energy: -81.630
bonds (distance) P-C4' energy: -99.981
flat angles C4'-P-C4' energy: -111.801
flat angles P-C4'-P energy: -61.721
tors. eta vs tors. theta energy: -120.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1518.351317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.351317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.351317 (E_RNA)
where:
Base-Base interactions energy: -1059.145
where: short stacking energy: -431.963
Base-Backbone interact. energy: 1.059
local terms energy: -460.265581
where:
bonds (distance) C4'-P energy: -78.912
bonds (distance) P-C4' energy: -96.521
flat angles C4'-P-C4' energy: -111.465
flat angles P-C4'-P energy: -69.371
tors. eta vs tors. theta energy: -103.997
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: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1358.067550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.067550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.067550 (E_RNA)
where:
Base-Base interactions energy: -923.141
where: short stacking energy: -405.817
Base-Backbone interact. energy: -4.113
local terms energy: -430.814179
where:
bonds (distance) C4'-P energy: -84.076
bonds (distance) P-C4' energy: -100.503
flat angles C4'-P-C4' energy: -91.595
flat angles P-C4'-P energy: -54.709
tors. eta vs tors. theta energy: -99.932
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: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1217.541028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.541028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.541028 (E_RNA)
where:
Base-Base interactions energy: -820.915
where: short stacking energy: -341.938
Base-Backbone interact. energy: -2.689
local terms energy: -393.936268
where:
bonds (distance) C4'-P energy: -77.603
bonds (distance) P-C4' energy: -96.790
flat angles C4'-P-C4' energy: -82.723
flat angles P-C4'-P energy: -65.856
tors. eta vs tors. theta energy: -70.964
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: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1021.563572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.563572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.563572 (E_RNA)
where:
Base-Base interactions energy: -611.702
where: short stacking energy: -296.247
Base-Backbone interact. energy: -1.771
local terms energy: -408.090779
where:
bonds (distance) C4'-P energy: -87.578
bonds (distance) P-C4' energy: -92.428
flat angles C4'-P-C4' energy: -91.424
flat angles P-C4'-P energy: -62.028
tors. eta vs tors. theta energy: -74.633
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: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -679.901335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.901335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.901335 (E_RNA)
where:
Base-Base interactions energy: -396.186
where: short stacking energy: -198.004
Base-Backbone interact. energy: 1.374
local terms energy: -285.089730
where:
bonds (distance) C4'-P energy: -87.788
bonds (distance) P-C4' energy: -91.497
flat angles C4'-P-C4' energy: -68.115
flat angles P-C4'-P energy: -45.893
tors. eta vs tors. theta energy: 8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1897.391231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.391231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.391231 (E_RNA)
where:
Base-Base interactions energy: -1349.376
where: short stacking energy: -534.267
Base-Backbone interact. energy: -4.068
local terms energy: -543.946970
where:
bonds (distance) C4'-P energy: -105.410
bonds (distance) P-C4' energy: -98.239
flat angles C4'-P-C4' energy: -121.908
flat angles P-C4'-P energy: -72.836
tors. eta vs tors. theta energy: -145.553
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: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1794.316334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.316334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.316334 (E_RNA)
where:
Base-Base interactions energy: -1294.490
where: short stacking energy: -506.470
Base-Backbone interact. energy: -1.383
local terms energy: -498.443529
where:
bonds (distance) C4'-P energy: -89.947
bonds (distance) P-C4' energy: -102.458
flat angles C4'-P-C4' energy: -106.950
flat angles P-C4'-P energy: -72.594
tors. eta vs tors. theta energy: -126.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1683.072634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.072634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.072634 (E_RNA)
where:
Base-Base interactions energy: -1180.266
where: short stacking energy: -453.561
Base-Backbone interact. energy: -2.130
local terms energy: -500.676188
where:
bonds (distance) C4'-P energy: -104.242
bonds (distance) P-C4' energy: -103.191
flat angles C4'-P-C4' energy: -110.911
flat angles P-C4'-P energy: -57.830
tors. eta vs tors. theta energy: -124.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1610.596314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.596314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.596314 (E_RNA)
where:
Base-Base interactions energy: -1149.958
where: short stacking energy: -448.550
Base-Backbone interact. energy: 2.832
local terms energy: -463.470726
where:
bonds (distance) C4'-P energy: -86.151
bonds (distance) P-C4' energy: -87.711
flat angles C4'-P-C4' energy: -107.165
flat angles P-C4'-P energy: -64.831
tors. eta vs tors. theta energy: -117.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1588.756655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.756655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.756655 (E_RNA)
where:
Base-Base interactions energy: -1124.047
where: short stacking energy: -451.508
Base-Backbone interact. energy: 0.414
local terms energy: -465.122879
where:
bonds (distance) C4'-P energy: -88.294
bonds (distance) P-C4' energy: -93.131
flat angles C4'-P-C4' energy: -106.087
flat angles P-C4'-P energy: -64.765
tors. eta vs tors. theta energy: -112.846
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: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1538.837240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.837240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.837240 (E_RNA)
where:
Base-Base interactions energy: -1059.112
where: short stacking energy: -452.541
Base-Backbone interact. energy: -1.435
local terms energy: -478.289588
where:
bonds (distance) C4'-P energy: -84.375
bonds (distance) P-C4' energy: -93.526
flat angles C4'-P-C4' energy: -96.099
flat angles P-C4'-P energy: -76.867
tors. eta vs tors. theta energy: -127.424
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: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1320.331217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.331217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.331217 (E_RNA)
where:
Base-Base interactions energy: -918.816
where: short stacking energy: -379.956
Base-Backbone interact. energy: -2.034
local terms energy: -399.481126
where:
bonds (distance) C4'-P energy: -86.136
bonds (distance) P-C4' energy: -84.789
flat angles C4'-P-C4' energy: -81.353
flat angles P-C4'-P energy: -55.813
tors. eta vs tors. theta energy: -91.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1233.877018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.877018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.877018 (E_RNA)
where:
Base-Base interactions energy: -834.307
where: short stacking energy: -342.377
Base-Backbone interact. energy: 0.419
local terms energy: -399.988936
where:
bonds (distance) C4'-P energy: -73.972
bonds (distance) P-C4' energy: -93.144
flat angles C4'-P-C4' energy: -90.415
flat angles P-C4'-P energy: -61.573
tors. eta vs tors. theta energy: -80.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -938.115817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.115817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.115817 (E_RNA)
where:
Base-Base interactions energy: -582.975
where: short stacking energy: -255.174
Base-Backbone interact. energy: -0.868
local terms energy: -354.272720
where:
bonds (distance) C4'-P energy: -86.390
bonds (distance) P-C4' energy: -90.947
flat angles C4'-P-C4' energy: -75.603
flat angles P-C4'-P energy: -50.435
tors. eta vs tors. theta energy: -50.898
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: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -693.680721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.680721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.680721 (E_RNA)
where:
Base-Base interactions energy: -385.732
where: short stacking energy: -205.799
Base-Backbone interact. energy: -0.459
local terms energy: -307.489200
where:
bonds (distance) C4'-P energy: -72.880
bonds (distance) P-C4' energy: -98.058
flat angles C4'-P-C4' energy: -81.338
flat angles P-C4'-P energy: -42.003
tors. eta vs tors. theta energy: -13.210
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: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1871.591357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.591357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.591357 (E_RNA)
where:
Base-Base interactions energy: -1342.843
where: short stacking energy: -514.515
Base-Backbone interact. energy: -2.974
local terms energy: -525.774039
where:
bonds (distance) C4'-P energy: -82.334
bonds (distance) P-C4' energy: -102.352
flat angles C4'-P-C4' energy: -122.894
flat angles P-C4'-P energy: -85.421
tors. eta vs tors. theta energy: -132.773
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: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1807.619046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.619046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.619046 (E_RNA)
where:
Base-Base interactions energy: -1298.706
where: short stacking energy: -506.360
Base-Backbone interact. energy: -1.614
local terms energy: -507.298971
where:
bonds (distance) C4'-P energy: -90.564
bonds (distance) P-C4' energy: -102.734
flat angles C4'-P-C4' energy: -104.914
flat angles P-C4'-P energy: -77.179
tors. eta vs tors. theta energy: -131.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1679.894489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.894489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.894489 (E_RNA)
where:
Base-Base interactions energy: -1176.459
where: short stacking energy: -481.234
Base-Backbone interact. energy: -1.259
local terms energy: -502.176643
where:
bonds (distance) C4'-P energy: -84.264
bonds (distance) P-C4' energy: -95.961
flat angles C4'-P-C4' energy: -111.566
flat angles P-C4'-P energy: -75.150
tors. eta vs tors. theta energy: -135.235
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: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1651.976210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.976210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.976210 (E_RNA)
where:
Base-Base interactions energy: -1153.274
where: short stacking energy: -473.602
Base-Backbone interact. energy: 2.832
local terms energy: -501.534309
where:
bonds (distance) C4'-P energy: -95.141
bonds (distance) P-C4' energy: -95.441
flat angles C4'-P-C4' energy: -107.388
flat angles P-C4'-P energy: -68.420
tors. eta vs tors. theta energy: -135.145
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: 210
Temperature: 1.100000
Total energy: -1570.332288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.332288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.332288 (E_RNA)
where:
Base-Base interactions energy: -1095.045
where: short stacking energy: -462.632
Base-Backbone interact. energy: -3.824
local terms energy: -471.463689
where:
bonds (distance) C4'-P energy: -85.420
bonds (distance) P-C4' energy: -87.710
flat angles C4'-P-C4' energy: -110.349
flat angles P-C4'-P energy: -62.771
tors. eta vs tors. theta energy: -125.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1521.395622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.395622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.395622 (E_RNA)
where:
Base-Base interactions energy: -1069.716
where: short stacking energy: -441.615
Base-Backbone interact. energy: -2.396
local terms energy: -449.283681
where:
bonds (distance) C4'-P energy: -77.449
bonds (distance) P-C4' energy: -85.560
flat angles C4'-P-C4' energy: -103.618
flat angles P-C4'-P energy: -71.580
tors. eta vs tors. theta energy: -111.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1356.053840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.053840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.053840 (E_RNA)
where:
Base-Base interactions energy: -907.246
where: short stacking energy: -397.534
Base-Backbone interact. energy: -2.297
local terms energy: -446.510894
where:
bonds (distance) C4'-P energy: -90.027
bonds (distance) P-C4' energy: -85.270
flat angles C4'-P-C4' energy: -106.705
flat angles P-C4'-P energy: -58.083
tors. eta vs tors. theta energy: -106.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1200.837410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.837410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.837410 (E_RNA)
where:
Base-Base interactions energy: -813.309
where: short stacking energy: -352.659
Base-Backbone interact. energy: -1.764
local terms energy: -385.765045
where:
bonds (distance) C4'-P energy: -94.097
bonds (distance) P-C4' energy: -61.309
flat angles C4'-P-C4' energy: -106.478
flat angles P-C4'-P energy: -52.248
tors. eta vs tors. theta energy: -71.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -847.055044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.055044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.055044 (E_RNA)
where:
Base-Base interactions energy: -495.197
where: short stacking energy: -247.389
Base-Backbone interact. energy: -1.940
local terms energy: -349.917214
where:
bonds (distance) C4'-P energy: -89.494
bonds (distance) P-C4' energy: -77.404
flat angles C4'-P-C4' energy: -95.218
flat angles P-C4'-P energy: -51.809
tors. eta vs tors. theta energy: -35.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -697.319130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.319130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.319130 (E_RNA)
where:
Base-Base interactions energy: -403.499
where: short stacking energy: -215.939
Base-Backbone interact. energy: 1.538
local terms energy: -295.357937
where:
bonds (distance) C4'-P energy: -75.425
bonds (distance) P-C4' energy: -81.327
flat angles C4'-P-C4' energy: -77.355
flat angles P-C4'-P energy: -34.429
tors. eta vs tors. theta energy: -26.822
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: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1907.534919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.534919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.534919 (E_RNA)
where:
Base-Base interactions energy: -1355.747
where: short stacking energy: -514.930
Base-Backbone interact. energy: -4.583
local terms energy: -547.204819
where:
bonds (distance) C4'-P energy: -100.838
bonds (distance) P-C4' energy: -103.103
flat angles C4'-P-C4' energy: -122.386
flat angles P-C4'-P energy: -76.714
tors. eta vs tors. theta energy: -144.164
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: 211
Temperature: 0.950000
Total energy: -1802.821537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.821537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.821537 (E_RNA)
where:
Base-Base interactions energy: -1271.995
where: short stacking energy: -499.176
Base-Backbone interact. energy: -3.119
local terms energy: -527.707336
where:
bonds (distance) C4'-P energy: -86.923
bonds (distance) P-C4' energy: -106.983
flat angles C4'-P-C4' energy: -109.010
flat angles P-C4'-P energy: -79.462
tors. eta vs tors. theta energy: -145.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1667.012155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.012155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.012155 (E_RNA)
where:
Base-Base interactions energy: -1176.430
where: short stacking energy: -501.021
Base-Backbone interact. energy: -1.870
local terms energy: -488.712515
where:
bonds (distance) C4'-P energy: -96.169
bonds (distance) P-C4' energy: -88.278
flat angles C4'-P-C4' energy: -103.720
flat angles P-C4'-P energy: -76.655
tors. eta vs tors. theta energy: -123.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1685.347665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.347665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.347665 (E_RNA)
where:
Base-Base interactions energy: -1176.723
where: short stacking energy: -484.254
Base-Backbone interact. energy: -2.284
local terms energy: -506.340518
where:
bonds (distance) C4'-P energy: -88.295
bonds (distance) P-C4' energy: -101.766
flat angles C4'-P-C4' energy: -115.170
flat angles P-C4'-P energy: -68.629
tors. eta vs tors. theta energy: -132.481
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: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1568.786713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.786713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.786713 (E_RNA)
where:
Base-Base interactions energy: -1098.828
where: short stacking energy: -444.133
Base-Backbone interact. energy: 8.697
local terms energy: -478.655620
where:
bonds (distance) C4'-P energy: -88.070
bonds (distance) P-C4' energy: -92.135
flat angles C4'-P-C4' energy: -114.572
flat angles P-C4'-P energy: -72.522
tors. eta vs tors. theta energy: -111.357
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: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1520.475422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.475422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.475422 (E_RNA)
where:
Base-Base interactions energy: -1043.299
where: short stacking energy: -432.421
Base-Backbone interact. energy: -1.579
local terms energy: -475.597108
where:
bonds (distance) C4'-P energy: -93.512
bonds (distance) P-C4' energy: -102.505
flat angles C4'-P-C4' energy: -100.296
flat angles P-C4'-P energy: -65.996
tors. eta vs tors. theta energy: -113.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1318.105097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.105097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.105097 (E_RNA)
where:
Base-Base interactions energy: -924.965
where: short stacking energy: -360.717
Base-Backbone interact. energy: 1.720
local terms energy: -394.860396
where:
bonds (distance) C4'-P energy: -91.068
bonds (distance) P-C4' energy: -69.437
flat angles C4'-P-C4' energy: -94.763
flat angles P-C4'-P energy: -55.359
tors. eta vs tors. theta energy: -84.234
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: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1187.099241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.099241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.099241 (E_RNA)
where:
Base-Base interactions energy: -814.051
where: short stacking energy: -324.435
Base-Backbone interact. energy: -0.766
local terms energy: -372.282657
where:
bonds (distance) C4'-P energy: -68.664
bonds (distance) P-C4' energy: -87.020
flat angles C4'-P-C4' energy: -101.382
flat angles P-C4'-P energy: -44.764
tors. eta vs tors. theta energy: -70.454
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: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -856.889776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.889776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.889776 (E_RNA)
where:
Base-Base interactions energy: -499.811
where: short stacking energy: -232.499
Base-Backbone interact. energy: -2.269
local terms energy: -354.809794
where:
bonds (distance) C4'-P energy: -98.527
bonds (distance) P-C4' energy: -81.916
flat angles C4'-P-C4' energy: -79.666
flat angles P-C4'-P energy: -55.086
tors. eta vs tors. theta energy: -39.614
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: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -615.205202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.205202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.205202 (E_RNA)
where:
Base-Base interactions energy: -339.792
where: short stacking energy: -182.583
Base-Backbone interact. energy: -1.230
local terms energy: -274.182563
where:
bonds (distance) C4'-P energy: -87.126
bonds (distance) P-C4' energy: -88.517
flat angles C4'-P-C4' energy: -73.140
flat angles P-C4'-P energy: -31.797
tors. eta vs tors. theta energy: 6.397
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: 212
Temperature: 0.900000
Total energy: -1861.750391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.750391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.750391 (E_RNA)
where:
Base-Base interactions energy: -1331.328
where: short stacking energy: -522.458
Base-Backbone interact. energy: -6.299
local terms energy: -524.123400
where:
bonds (distance) C4'-P energy: -106.806
bonds (distance) P-C4' energy: -98.764
flat angles C4'-P-C4' energy: -109.066
flat angles P-C4'-P energy: -70.693
tors. eta vs tors. theta energy: -138.795
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: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1781.243989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.243989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.243989 (E_RNA)
where:
Base-Base interactions energy: -1261.918
where: short stacking energy: -492.883
Base-Backbone interact. energy: -3.443
local terms energy: -515.882426
where:
bonds (distance) C4'-P energy: -98.462
bonds (distance) P-C4' energy: -99.249
flat angles C4'-P-C4' energy: -109.299
flat angles P-C4'-P energy: -75.364
tors. eta vs tors. theta energy: -133.509
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: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1691.848820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.848820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.848820 (E_RNA)
where:
Base-Base interactions energy: -1169.382
where: short stacking energy: -469.099
Base-Backbone interact. energy: -1.551
local terms energy: -520.916535
where:
bonds (distance) C4'-P energy: -102.133
bonds (distance) P-C4' energy: -100.316
flat angles C4'-P-C4' energy: -114.974
flat angles P-C4'-P energy: -77.603
tors. eta vs tors. theta energy: -125.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1632.392557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.392557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.392557 (E_RNA)
where:
Base-Base interactions energy: -1142.985
where: short stacking energy: -454.741
Base-Backbone interact. energy: -3.685
local terms energy: -485.722839
where:
bonds (distance) C4'-P energy: -92.209
bonds (distance) P-C4' energy: -96.253
flat angles C4'-P-C4' energy: -112.316
flat angles P-C4'-P energy: -69.221
tors. eta vs tors. theta energy: -115.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1546.329857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.329857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.329857 (E_RNA)
where:
Base-Base interactions energy: -1090.383
where: short stacking energy: -447.122
Base-Backbone interact. energy: 3.618
local terms energy: -459.564275
where:
bonds (distance) C4'-P energy: -81.798
bonds (distance) P-C4' energy: -94.303
flat angles C4'-P-C4' energy: -107.859
flat angles P-C4'-P energy: -58.404
tors. eta vs tors. theta energy: -117.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1479.437925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.437925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.437925 (E_RNA)
where:
Base-Base interactions energy: -1017.846
where: short stacking energy: -426.169
Base-Backbone interact. energy: -2.916
local terms energy: -458.676103
where:
bonds (distance) C4'-P energy: -93.229
bonds (distance) P-C4' energy: -76.214
flat angles C4'-P-C4' energy: -113.909
flat angles P-C4'-P energy: -66.571
tors. eta vs tors. theta energy: -108.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1352.848738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.848738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.848738 (E_RNA)
where:
Base-Base interactions energy: -932.271
where: short stacking energy: -386.090
Base-Backbone interact. energy: -0.192
local terms energy: -420.386590
where:
bonds (distance) C4'-P energy: -98.508
bonds (distance) P-C4' energy: -86.596
flat angles C4'-P-C4' energy: -80.874
flat angles P-C4'-P energy: -62.986
tors. eta vs tors. theta energy: -91.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1229.869228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.869228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.869228 (E_RNA)
where:
Base-Base interactions energy: -843.907
where: short stacking energy: -336.744
Base-Backbone interact. energy: -1.824
local terms energy: -384.137894
where:
bonds (distance) C4'-P energy: -81.264
bonds (distance) P-C4' energy: -91.530
flat angles C4'-P-C4' energy: -84.317
flat angles P-C4'-P energy: -57.377
tors. eta vs tors. theta energy: -69.650
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: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -869.177531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.177531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.177531 (E_RNA)
where:
Base-Base interactions energy: -484.636
where: short stacking energy: -241.153
Base-Backbone interact. energy: -1.748
local terms energy: -382.793701
where:
bonds (distance) C4'-P energy: -91.465
bonds (distance) P-C4' energy: -87.137
flat angles C4'-P-C4' energy: -93.583
flat angles P-C4'-P energy: -66.475
tors. eta vs tors. theta energy: -44.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -582.109166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.109166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.109166 (E_RNA)
where:
Base-Base interactions energy: -307.580
where: short stacking energy: -162.571
Base-Backbone interact. energy: -1.772
local terms energy: -272.757224
where:
bonds (distance) C4'-P energy: -66.531
bonds (distance) P-C4' energy: -89.767
flat angles C4'-P-C4' energy: -75.849
flat angles P-C4'-P energy: -43.899
tors. eta vs tors. theta energy: 3.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1864.289241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.289241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.289241 (E_RNA)
where:
Base-Base interactions energy: -1326.774
where: short stacking energy: -517.111
Base-Backbone interact. energy: -2.701
local terms energy: -534.813834
where:
bonds (distance) C4'-P energy: -101.150
bonds (distance) P-C4' energy: -95.509
flat angles C4'-P-C4' energy: -113.556
flat angles P-C4'-P energy: -87.956
tors. eta vs tors. theta energy: -136.643
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: 213
Temperature: 0.950000
Total energy: -1798.206075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.206075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.206075 (E_RNA)
where:
Base-Base interactions energy: -1260.837
where: short stacking energy: -496.468
Base-Backbone interact. energy: -3.542
local terms energy: -533.827840
where:
bonds (distance) C4'-P energy: -97.633
bonds (distance) P-C4' energy: -109.080
flat angles C4'-P-C4' energy: -116.273
flat angles P-C4'-P energy: -73.055
tors. eta vs tors. theta energy: -137.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1717.431663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.431663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.431663 (E_RNA)
where:
Base-Base interactions energy: -1214.345
where: short stacking energy: -488.332
Base-Backbone interact. energy: -2.113
local terms energy: -500.972993
where:
bonds (distance) C4'-P energy: -91.374
bonds (distance) P-C4' energy: -104.637
flat angles C4'-P-C4' energy: -108.908
flat angles P-C4'-P energy: -56.252
tors. eta vs tors. theta energy: -139.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1630.859694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.859694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.859694 (E_RNA)
where:
Base-Base interactions energy: -1143.047
where: short stacking energy: -469.298
Base-Backbone interact. energy: -4.261
local terms energy: -483.550907
where:
bonds (distance) C4'-P energy: -89.280
bonds (distance) P-C4' energy: -100.517
flat angles C4'-P-C4' energy: -105.705
flat angles P-C4'-P energy: -72.910
tors. eta vs tors. theta energy: -115.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1603.885452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.885452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.885452 (E_RNA)
where:
Base-Base interactions energy: -1110.807
where: short stacking energy: -447.922
Base-Backbone interact. energy: -2.067
local terms energy: -491.011787
where:
bonds (distance) C4'-P energy: -103.971
bonds (distance) P-C4' energy: -96.641
flat angles C4'-P-C4' energy: -110.272
flat angles P-C4'-P energy: -73.258
tors. eta vs tors. theta energy: -106.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1455.056601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.056601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.056601 (E_RNA)
where:
Base-Base interactions energy: -1009.933
where: short stacking energy: -406.414
Base-Backbone interact. energy: -2.829
local terms energy: -442.294464
where:
bonds (distance) C4'-P energy: -86.693
bonds (distance) P-C4' energy: -92.801
flat angles C4'-P-C4' energy: -96.128
flat angles P-C4'-P energy: -62.760
tors. eta vs tors. theta energy: -103.913
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: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1375.599299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.599299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.599299 (E_RNA)
where:
Base-Base interactions energy: -941.162
where: short stacking energy: -406.125
Base-Backbone interact. energy: -3.407
local terms energy: -431.030752
where:
bonds (distance) C4'-P energy: -91.953
bonds (distance) P-C4' energy: -86.972
flat angles C4'-P-C4' energy: -102.407
flat angles P-C4'-P energy: -54.341
tors. eta vs tors. theta energy: -95.357
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: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1230.501240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.501240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.501240 (E_RNA)
where:
Base-Base interactions energy: -846.234
where: short stacking energy: -336.660
Base-Backbone interact. energy: -2.635
local terms energy: -381.632237
where:
bonds (distance) C4'-P energy: -77.973
bonds (distance) P-C4' energy: -75.726
flat angles C4'-P-C4' energy: -104.726
flat angles P-C4'-P energy: -51.499
tors. eta vs tors. theta energy: -71.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -893.969628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.969628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.969628 (E_RNA)
where:
Base-Base interactions energy: -541.071
where: short stacking energy: -280.874
Base-Backbone interact. energy: -1.538
local terms energy: -351.359727
where:
bonds (distance) C4'-P energy: -85.187
bonds (distance) P-C4' energy: -93.945
flat angles C4'-P-C4' energy: -78.891
flat angles P-C4'-P energy: -45.332
tors. eta vs tors. theta energy: -48.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -582.269928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.269928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.269928 (E_RNA)
where:
Base-Base interactions energy: -300.399
where: short stacking energy: -167.655
Base-Backbone interact. energy: -2.557
local terms energy: -279.314044
where:
bonds (distance) C4'-P energy: -64.745
bonds (distance) P-C4' energy: -83.996
flat angles C4'-P-C4' energy: -80.594
flat angles P-C4'-P energy: -56.491
tors. eta vs tors. theta energy: 6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1879.397946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.397946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.397946 (E_RNA)
where:
Base-Base interactions energy: -1323.941
where: short stacking energy: -512.422
Base-Backbone interact. energy: -5.994
local terms energy: -549.462993
where:
bonds (distance) C4'-P energy: -113.114
bonds (distance) P-C4' energy: -98.988
flat angles C4'-P-C4' energy: -121.270
flat angles P-C4'-P energy: -71.779
tors. eta vs tors. theta energy: -144.312
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: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1772.366433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.366433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.366433 (E_RNA)
where:
Base-Base interactions energy: -1255.947
where: short stacking energy: -478.660
Base-Backbone interact. energy: -1.666
local terms energy: -514.754023
where:
bonds (distance) C4'-P energy: -106.074
bonds (distance) P-C4' energy: -92.763
flat angles C4'-P-C4' energy: -119.327
flat angles P-C4'-P energy: -67.145
tors. eta vs tors. theta energy: -129.444
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: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1700.230872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.230872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.230872 (E_RNA)
where:
Base-Base interactions energy: -1193.926
where: short stacking energy: -489.725
Base-Backbone interact. energy: -3.988
local terms energy: -502.316608
where:
bonds (distance) C4'-P energy: -91.878
bonds (distance) P-C4' energy: -91.287
flat angles C4'-P-C4' energy: -108.936
flat angles P-C4'-P energy: -78.306
tors. eta vs tors. theta energy: -131.909
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: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1663.410116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.410116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.410116 (E_RNA)
where:
Base-Base interactions energy: -1169.795
where: short stacking energy: -467.127
Base-Backbone interact. energy: -4.384
local terms energy: -489.230880
where:
bonds (distance) C4'-P energy: -93.087
bonds (distance) P-C4' energy: -98.331
flat angles C4'-P-C4' energy: -107.389
flat angles P-C4'-P energy: -73.044
tors. eta vs tors. theta energy: -117.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1574.754434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.754434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.754434 (E_RNA)
where:
Base-Base interactions energy: -1121.165
where: short stacking energy: -437.953
Base-Backbone interact. energy: -1.330
local terms energy: -452.259269
where:
bonds (distance) C4'-P energy: -96.098
bonds (distance) P-C4' energy: -95.667
flat angles C4'-P-C4' energy: -99.899
flat angles P-C4'-P energy: -55.427
tors. eta vs tors. theta energy: -105.169
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: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1462.383945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.383945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.383945 (E_RNA)
where:
Base-Base interactions energy: -1022.854
where: short stacking energy: -420.942
Base-Backbone interact. energy: 1.899
local terms energy: -441.428326
where:
bonds (distance) C4'-P energy: -84.669
bonds (distance) P-C4' energy: -83.241
flat angles C4'-P-C4' energy: -107.948
flat angles P-C4'-P energy: -57.327
tors. eta vs tors. theta energy: -108.243
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: 214
Temperature: 1.200000
Total energy: -1292.807895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.807895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.807895 (E_RNA)
where:
Base-Base interactions energy: -882.329
where: short stacking energy: -361.299
Base-Backbone interact. energy: -0.244
local terms energy: -410.235856
where:
bonds (distance) C4'-P energy: -101.915
bonds (distance) P-C4' energy: -81.707
flat angles C4'-P-C4' energy: -86.623
flat angles P-C4'-P energy: -55.229
tors. eta vs tors. theta energy: -84.762
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: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1192.320467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.320467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.320467 (E_RNA)
where:
Base-Base interactions energy: -811.791
where: short stacking energy: -329.716
Base-Backbone interact. energy: -4.668
local terms energy: -375.862341
where:
bonds (distance) C4'-P energy: -80.359
bonds (distance) P-C4' energy: -73.897
flat angles C4'-P-C4' energy: -98.315
flat angles P-C4'-P energy: -44.640
tors. eta vs tors. theta energy: -78.651
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: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -922.652500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.652500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.652500 (E_RNA)
where:
Base-Base interactions energy: -567.531
where: short stacking energy: -262.394
Base-Backbone interact. energy: 1.769
local terms energy: -356.890483
where:
bonds (distance) C4'-P energy: -84.537
bonds (distance) P-C4' energy: -90.498
flat angles C4'-P-C4' energy: -85.762
flat angles P-C4'-P energy: -51.661
tors. eta vs tors. theta energy: -44.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -513.861915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.861915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.861915 (E_RNA)
where:
Base-Base interactions energy: -252.455
where: short stacking energy: -162.321
Base-Backbone interact. energy: 1.845
local terms energy: -263.252643
where:
bonds (distance) C4'-P energy: -84.521
bonds (distance) P-C4' energy: -76.884
flat angles C4'-P-C4' energy: -62.015
flat angles P-C4'-P energy: -39.463
tors. eta vs tors. theta energy: -0.369
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: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1879.097852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.097852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.097852 (E_RNA)
where:
Base-Base interactions energy: -1339.031
where: short stacking energy: -547.973
Base-Backbone interact. energy: -3.676
local terms energy: -536.391616
where:
bonds (distance) C4'-P energy: -105.109
bonds (distance) P-C4' energy: -96.802
flat angles C4'-P-C4' energy: -112.785
flat angles P-C4'-P energy: -70.761
tors. eta vs tors. theta energy: -150.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1785.740948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.740948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.740948 (E_RNA)
where:
Base-Base interactions energy: -1285.714
where: short stacking energy: -489.069
Base-Backbone interact. energy: -2.426
local terms energy: -497.600099
where:
bonds (distance) C4'-P energy: -98.257
bonds (distance) P-C4' energy: -91.695
flat angles C4'-P-C4' energy: -117.898
flat angles P-C4'-P energy: -66.611
tors. eta vs tors. theta energy: -123.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1680.397004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.397004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.397004 (E_RNA)
where:
Base-Base interactions energy: -1172.640
where: short stacking energy: -490.266
Base-Backbone interact. energy: -3.903
local terms energy: -503.853998
where:
bonds (distance) C4'-P energy: -97.079
bonds (distance) P-C4' energy: -97.856
flat angles C4'-P-C4' energy: -110.907
flat angles P-C4'-P energy: -78.907
tors. eta vs tors. theta energy: -119.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1670.083464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.083464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.083464 (E_RNA)
where:
Base-Base interactions energy: -1189.364
where: short stacking energy: -472.543
Base-Backbone interact. energy: -2.083
local terms energy: -478.636601
where:
bonds (distance) C4'-P energy: -96.334
bonds (distance) P-C4' energy: -80.165
flat angles C4'-P-C4' energy: -104.485
flat angles P-C4'-P energy: -69.957
tors. eta vs tors. theta energy: -127.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1575.246512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.246512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.246512 (E_RNA)
where:
Base-Base interactions energy: -1110.524
where: short stacking energy: -416.229
Base-Backbone interact. energy: -1.791
local terms energy: -462.931350
where:
bonds (distance) C4'-P energy: -96.660
bonds (distance) P-C4' energy: -80.622
flat angles C4'-P-C4' energy: -103.023
flat angles P-C4'-P energy: -73.419
tors. eta vs tors. theta energy: -109.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1478.543825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.543825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.543825 (E_RNA)
where:
Base-Base interactions energy: -1034.134
where: short stacking energy: -410.581
Base-Backbone interact. energy: 2.143
local terms energy: -446.552652
where:
bonds (distance) C4'-P energy: -98.288
bonds (distance) P-C4' energy: -84.405
flat angles C4'-P-C4' energy: -97.171
flat angles P-C4'-P energy: -65.988
tors. eta vs tors. theta energy: -100.700
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: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1332.789957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.789957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.789957 (E_RNA)
where:
Base-Base interactions energy: -884.947
where: short stacking energy: -349.903
Base-Backbone interact. energy: 2.080
local terms energy: -449.923095
where:
bonds (distance) C4'-P energy: -89.382
bonds (distance) P-C4' energy: -95.010
flat angles C4'-P-C4' energy: -117.561
flat angles P-C4'-P energy: -67.911
tors. eta vs tors. theta energy: -80.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1257.659689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.659689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.659689 (E_RNA)
where:
Base-Base interactions energy: -877.065
where: short stacking energy: -357.746
Base-Backbone interact. energy: -1.728
local terms energy: -378.867329
where:
bonds (distance) C4'-P energy: -72.534
bonds (distance) P-C4' energy: -79.716
flat angles C4'-P-C4' energy: -94.502
flat angles P-C4'-P energy: -55.900
tors. eta vs tors. theta energy: -76.215
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: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -997.645732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.645732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.645732 (E_RNA)
where:
Base-Base interactions energy: -601.480
where: short stacking energy: -267.384
Base-Backbone interact. energy: -2.284
local terms energy: -393.881712
where:
bonds (distance) C4'-P energy: -92.280
bonds (distance) P-C4' energy: -97.575
flat angles C4'-P-C4' energy: -79.136
flat angles P-C4'-P energy: -58.008
tors. eta vs tors. theta energy: -66.882
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: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -498.597201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.597201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.597201 (E_RNA)
where:
Base-Base interactions energy: -228.380
where: short stacking energy: -154.483
Base-Backbone interact. energy: 8.074
local terms energy: -278.290659
where:
bonds (distance) C4'-P energy: -73.189
bonds (distance) P-C4' energy: -90.528
flat angles C4'-P-C4' energy: -77.891
flat angles P-C4'-P energy: -40.968
tors. eta vs tors. theta energy: 4.284
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: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1879.825317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.825317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.825317 (E_RNA)
where:
Base-Base interactions energy: -1332.717
where: short stacking energy: -521.251
Base-Backbone interact. energy: -2.356
local terms energy: -544.751866
where:
bonds (distance) C4'-P energy: -104.780
bonds (distance) P-C4' energy: -107.011
flat angles C4'-P-C4' energy: -107.526
flat angles P-C4'-P energy: -79.729
tors. eta vs tors. theta energy: -145.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1766.844741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.844741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.844741 (E_RNA)
where:
Base-Base interactions energy: -1242.913
where: short stacking energy: -471.525
Base-Backbone interact. energy: -2.711
local terms energy: -521.220702
where:
bonds (distance) C4'-P energy: -94.863
bonds (distance) P-C4' energy: -115.680
flat angles C4'-P-C4' energy: -112.261
flat angles P-C4'-P energy: -68.049
tors. eta vs tors. theta energy: -130.369
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: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1704.643096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.643096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.643096 (E_RNA)
where:
Base-Base interactions energy: -1175.853
where: short stacking energy: -506.235
Base-Backbone interact. energy: -3.177
local terms energy: -525.613715
where:
bonds (distance) C4'-P energy: -89.467
bonds (distance) P-C4' energy: -107.502
flat angles C4'-P-C4' energy: -104.118
flat angles P-C4'-P energy: -83.926
tors. eta vs tors. theta energy: -140.602
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: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1703.121844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.121844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.121844 (E_RNA)
where:
Base-Base interactions energy: -1206.694
where: short stacking energy: -488.068
Base-Backbone interact. energy: -2.836
local terms energy: -493.591986
where:
bonds (distance) C4'-P energy: -80.607
bonds (distance) P-C4' energy: -90.723
flat angles C4'-P-C4' energy: -114.459
flat angles P-C4'-P energy: -77.009
tors. eta vs tors. theta energy: -130.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1589.360130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.360130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.360130 (E_RNA)
where:
Base-Base interactions energy: -1122.511
where: short stacking energy: -448.435
Base-Backbone interact. energy: -1.603
local terms energy: -465.246083
where:
bonds (distance) C4'-P energy: -77.797
bonds (distance) P-C4' energy: -100.937
flat angles C4'-P-C4' energy: -104.364
flat angles P-C4'-P energy: -68.744
tors. eta vs tors. theta energy: -113.404
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: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1477.736358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.736358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.736358 (E_RNA)
where:
Base-Base interactions energy: -1039.300
where: short stacking energy: -431.624
Base-Backbone interact. energy: -1.355
local terms energy: -437.081185
where:
bonds (distance) C4'-P energy: -94.140
bonds (distance) P-C4' energy: -73.644
flat angles C4'-P-C4' energy: -92.869
flat angles P-C4'-P energy: -65.952
tors. eta vs tors. theta energy: -110.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1272.085123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.085123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.085123 (E_RNA)
where:
Base-Base interactions energy: -845.423
where: short stacking energy: -338.684
Base-Backbone interact. energy: -1.944
local terms energy: -424.718296
where:
bonds (distance) C4'-P energy: -91.491
bonds (distance) P-C4' energy: -90.565
flat angles C4'-P-C4' energy: -93.574
flat angles P-C4'-P energy: -67.859
tors. eta vs tors. theta energy: -81.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1228.094446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.094446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.094446 (E_RNA)
where:
Base-Base interactions energy: -839.660
where: short stacking energy: -335.441
Base-Backbone interact. energy: 3.585
local terms energy: -392.019308
where:
bonds (distance) C4'-P energy: -74.419
bonds (distance) P-C4' energy: -88.041
flat angles C4'-P-C4' energy: -108.901
flat angles P-C4'-P energy: -50.387
tors. eta vs tors. theta energy: -70.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -798.295717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.295717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.295717 (E_RNA)
where:
Base-Base interactions energy: -480.900
where: short stacking energy: -256.124
Base-Backbone interact. energy: -2.549
local terms energy: -314.845864
where:
bonds (distance) C4'-P energy: -68.911
bonds (distance) P-C4' energy: -79.913
flat angles C4'-P-C4' energy: -83.444
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -33.297
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: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -520.103574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.103574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.103574 (E_RNA)
where:
Base-Base interactions energy: -250.715
where: short stacking energy: -179.114
Base-Backbone interact. energy: -1.534
local terms energy: -267.854860
where:
bonds (distance) C4'-P energy: -83.162
bonds (distance) P-C4' energy: -86.774
flat angles C4'-P-C4' energy: -55.477
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1885.994351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.994351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.994351 (E_RNA)
where:
Base-Base interactions energy: -1356.091
where: short stacking energy: -506.775
Base-Backbone interact. energy: -4.669
local terms energy: -525.233599
where:
bonds (distance) C4'-P energy: -96.760
bonds (distance) P-C4' energy: -101.982
flat angles C4'-P-C4' energy: -110.245
flat angles P-C4'-P energy: -79.544
tors. eta vs tors. theta energy: -136.703
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: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1766.019832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.019832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.019832 (E_RNA)
where:
Base-Base interactions energy: -1245.919
where: short stacking energy: -505.030
Base-Backbone interact. energy: -2.535
local terms energy: -517.565430
where:
bonds (distance) C4'-P energy: -99.032
bonds (distance) P-C4' energy: -104.585
flat angles C4'-P-C4' energy: -118.832
flat angles P-C4'-P energy: -59.743
tors. eta vs tors. theta energy: -135.372
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: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1715.351280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.351280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.351280 (E_RNA)
where:
Base-Base interactions energy: -1197.555
where: short stacking energy: -480.849
Base-Backbone interact. energy: -0.540
local terms energy: -517.257130
where:
bonds (distance) C4'-P energy: -102.217
bonds (distance) P-C4' energy: -91.037
flat angles C4'-P-C4' energy: -109.644
flat angles P-C4'-P energy: -75.236
tors. eta vs tors. theta energy: -139.123
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: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1660.667613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.667613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.667613 (E_RNA)
where:
Base-Base interactions energy: -1194.132
where: short stacking energy: -465.656
Base-Backbone interact. energy: 0.712
local terms energy: -467.248176
where:
bonds (distance) C4'-P energy: -86.567
bonds (distance) P-C4' energy: -83.204
flat angles C4'-P-C4' energy: -99.136
flat angles P-C4'-P energy: -72.702
tors. eta vs tors. theta energy: -125.640
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: 217
Temperature: 1.100000
Total energy: -1603.857120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.857120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.857120 (E_RNA)
where:
Base-Base interactions energy: -1121.249
where: short stacking energy: -459.023
Base-Backbone interact. energy: -2.209
local terms energy: -480.399780
where:
bonds (distance) C4'-P energy: -86.744
bonds (distance) P-C4' energy: -91.747
flat angles C4'-P-C4' energy: -109.775
flat angles P-C4'-P energy: -77.705
tors. eta vs tors. theta energy: -114.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1486.891840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.891840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.891840 (E_RNA)
where:
Base-Base interactions energy: -1035.689
where: short stacking energy: -426.174
Base-Backbone interact. energy: -1.195
local terms energy: -450.008084
where:
bonds (distance) C4'-P energy: -78.073
bonds (distance) P-C4' energy: -88.862
flat angles C4'-P-C4' energy: -99.748
flat angles P-C4'-P energy: -71.379
tors. eta vs tors. theta energy: -111.947
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: 217
Temperature: 1.200000
Total energy: -1293.609939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.609939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.609939 (E_RNA)
where:
Base-Base interactions energy: -900.292
where: short stacking energy: -362.282
Base-Backbone interact. energy: -2.097
local terms energy: -391.221066
where:
bonds (distance) C4'-P energy: -90.705
bonds (distance) P-C4' energy: -74.745
flat angles C4'-P-C4' energy: -91.537
flat angles P-C4'-P energy: -47.488
tors. eta vs tors. theta energy: -86.745
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: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1210.957395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.957395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.957395 (E_RNA)
where:
Base-Base interactions energy: -852.160
where: short stacking energy: -332.335
Base-Backbone interact. energy: 5.582
local terms energy: -364.379502
where:
bonds (distance) C4'-P energy: -86.460
bonds (distance) P-C4' energy: -70.638
flat angles C4'-P-C4' energy: -83.042
flat angles P-C4'-P energy: -44.141
tors. eta vs tors. theta energy: -80.098
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: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -837.228566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.228566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.228566 (E_RNA)
where:
Base-Base interactions energy: -515.923
where: short stacking energy: -239.164
Base-Backbone interact. energy: -0.229
local terms energy: -321.076855
where:
bonds (distance) C4'-P energy: -87.140
bonds (distance) P-C4' energy: -84.860
flat angles C4'-P-C4' energy: -67.339
flat angles P-C4'-P energy: -50.126
tors. eta vs tors. theta energy: -31.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -503.009473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.009473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.009473 (E_RNA)
where:
Base-Base interactions energy: -245.486
where: short stacking energy: -152.788
Base-Backbone interact. energy: -0.235
local terms energy: -257.288304
where:
bonds (distance) C4'-P energy: -78.960
bonds (distance) P-C4' energy: -79.327
flat angles C4'-P-C4' energy: -71.433
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1865.832962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.832962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.832962 (E_RNA)
where:
Base-Base interactions energy: -1321.763
where: short stacking energy: -526.489
Base-Backbone interact. energy: 1.075
local terms energy: -545.144705
where:
bonds (distance) C4'-P energy: -92.569
bonds (distance) P-C4' energy: -105.853
flat angles C4'-P-C4' energy: -115.234
flat angles P-C4'-P energy: -82.799
tors. eta vs tors. theta energy: -148.691
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: 218
Temperature: 0.950000
Total energy: -1765.804215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.804215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.804215 (E_RNA)
where:
Base-Base interactions energy: -1254.354
where: short stacking energy: -487.355
Base-Backbone interact. energy: -3.517
local terms energy: -507.932783
where:
bonds (distance) C4'-P energy: -99.259
bonds (distance) P-C4' energy: -109.324
flat angles C4'-P-C4' energy: -108.074
flat angles P-C4'-P energy: -66.890
tors. eta vs tors. theta energy: -124.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1715.339251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.339251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.339251 (E_RNA)
where:
Base-Base interactions energy: -1206.751
where: short stacking energy: -481.235
Base-Backbone interact. energy: -3.671
local terms energy: -504.917708
where:
bonds (distance) C4'-P energy: -97.505
bonds (distance) P-C4' energy: -100.053
flat angles C4'-P-C4' energy: -107.966
flat angles P-C4'-P energy: -67.495
tors. eta vs tors. theta energy: -131.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1667.382322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.382322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.382322 (E_RNA)
where:
Base-Base interactions energy: -1164.655
where: short stacking energy: -479.287
Base-Backbone interact. energy: -1.938
local terms energy: -500.788849
where:
bonds (distance) C4'-P energy: -101.426
bonds (distance) P-C4' energy: -96.663
flat angles C4'-P-C4' energy: -105.460
flat angles P-C4'-P energy: -57.659
tors. eta vs tors. theta energy: -139.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1599.435064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.435064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.435064 (E_RNA)
where:
Base-Base interactions energy: -1126.174
where: short stacking energy: -451.567
Base-Backbone interact. energy: -2.873
local terms energy: -470.388551
where:
bonds (distance) C4'-P energy: -90.396
bonds (distance) P-C4' energy: -86.267
flat angles C4'-P-C4' energy: -110.781
flat angles P-C4'-P energy: -66.071
tors. eta vs tors. theta energy: -116.875
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: 218
Temperature: 1.150000
Total energy: -1490.715578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.715578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.715578 (E_RNA)
where:
Base-Base interactions energy: -1039.131
where: short stacking energy: -450.786
Base-Backbone interact. energy: -2.226
local terms energy: -449.359366
where:
bonds (distance) C4'-P energy: -99.607
bonds (distance) P-C4' energy: -80.497
flat angles C4'-P-C4' energy: -97.832
flat angles P-C4'-P energy: -56.903
tors. eta vs tors. theta energy: -114.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1292.493186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.493186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.493186 (E_RNA)
where:
Base-Base interactions energy: -902.333
where: short stacking energy: -372.022
Base-Backbone interact. energy: -1.926
local terms energy: -388.234714
where:
bonds (distance) C4'-P energy: -89.041
bonds (distance) P-C4' energy: -76.839
flat angles C4'-P-C4' energy: -95.180
flat angles P-C4'-P energy: -58.171
tors. eta vs tors. theta energy: -69.004
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: 218
Temperature: 1.250000
Total energy: -1198.971490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.971490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.971490 (E_RNA)
where:
Base-Base interactions energy: -814.417
where: short stacking energy: -351.413
Base-Backbone interact. energy: -2.165
local terms energy: -382.390195
where:
bonds (distance) C4'-P energy: -77.427
bonds (distance) P-C4' energy: -74.712
flat angles C4'-P-C4' energy: -94.205
flat angles P-C4'-P energy: -56.126
tors. eta vs tors. theta energy: -79.920
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: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -861.109065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.109065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.109065 (E_RNA)
where:
Base-Base interactions energy: -527.390
where: short stacking energy: -271.024
Base-Backbone interact. energy: -0.887
local terms energy: -332.831433
where:
bonds (distance) C4'-P energy: -70.055
bonds (distance) P-C4' energy: -72.607
flat angles C4'-P-C4' energy: -80.273
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -60.420
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: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -520.051718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.051718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.051718 (E_RNA)
where:
Base-Base interactions energy: -246.820
where: short stacking energy: -167.639
Base-Backbone interact. energy: 2.707
local terms energy: -275.938859
where:
bonds (distance) C4'-P energy: -86.158
bonds (distance) P-C4' energy: -70.114
flat angles C4'-P-C4' energy: -75.034
flat angles P-C4'-P energy: -52.717
tors. eta vs tors. theta energy: 8.084
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: 219
Temperature: 0.900000
Total energy: -1864.005176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.005176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.005176 (E_RNA)
where:
Base-Base interactions energy: -1340.497
where: short stacking energy: -525.003
Base-Backbone interact. energy: -3.159
local terms energy: -520.348425
where:
bonds (distance) C4'-P energy: -103.213
bonds (distance) P-C4' energy: -90.943
flat angles C4'-P-C4' energy: -106.845
flat angles P-C4'-P energy: -76.777
tors. eta vs tors. theta energy: -142.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1756.754131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.754131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.754131 (E_RNA)
where:
Base-Base interactions energy: -1221.848
where: short stacking energy: -492.415
Base-Backbone interact. energy: -1.659
local terms energy: -533.247197
where:
bonds (distance) C4'-P energy: -107.518
bonds (distance) P-C4' energy: -99.605
flat angles C4'-P-C4' energy: -102.928
flat angles P-C4'-P energy: -82.613
tors. eta vs tors. theta energy: -140.583
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: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1719.132912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.132912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.132912 (E_RNA)
where:
Base-Base interactions energy: -1210.837
where: short stacking energy: -473.603
Base-Backbone interact. energy: 3.830
local terms energy: -512.125598
where:
bonds (distance) C4'-P energy: -90.259
bonds (distance) P-C4' energy: -95.124
flat angles C4'-P-C4' energy: -113.847
flat angles P-C4'-P energy: -81.463
tors. eta vs tors. theta energy: -131.433
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: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1736.142128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.142128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.142128 (E_RNA)
where:
Base-Base interactions energy: -1222.394
where: short stacking energy: -498.128
Base-Backbone interact. energy: -5.508
local terms energy: -508.240481
where:
bonds (distance) C4'-P energy: -83.240
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -116.540
flat angles P-C4'-P energy: -78.917
tors. eta vs tors. theta energy: -136.733
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: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1576.063597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.063597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.063597 (E_RNA)
where:
Base-Base interactions energy: -1093.230
where: short stacking energy: -443.424
Base-Backbone interact. energy: -1.998
local terms energy: -480.835099
where:
bonds (distance) C4'-P energy: -95.026
bonds (distance) P-C4' energy: -95.864
flat angles C4'-P-C4' energy: -105.973
flat angles P-C4'-P energy: -72.367
tors. eta vs tors. theta energy: -111.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1476.435721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.435721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.435721 (E_RNA)
where:
Base-Base interactions energy: -1026.672
where: short stacking energy: -418.544
Base-Backbone interact. energy: -2.621
local terms energy: -447.142820
where:
bonds (distance) C4'-P energy: -79.074
bonds (distance) P-C4' energy: -92.219
flat angles C4'-P-C4' energy: -93.719
flat angles P-C4'-P energy: -74.301
tors. eta vs tors. theta energy: -107.829
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: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1312.944841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.944841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.944841 (E_RNA)
where:
Base-Base interactions energy: -893.612
where: short stacking energy: -379.177
Base-Backbone interact. energy: 0.369
local terms energy: -419.701960
where:
bonds (distance) C4'-P energy: -95.157
bonds (distance) P-C4' energy: -99.431
flat angles C4'-P-C4' energy: -76.016
flat angles P-C4'-P energy: -59.352
tors. eta vs tors. theta energy: -89.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1193.233149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.233149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.233149 (E_RNA)
where:
Base-Base interactions energy: -825.191
where: short stacking energy: -349.912
Base-Backbone interact. energy: 3.144
local terms energy: -371.185918
where:
bonds (distance) C4'-P energy: -59.776
bonds (distance) P-C4' energy: -84.085
flat angles C4'-P-C4' energy: -76.068
flat angles P-C4'-P energy: -63.918
tors. eta vs tors. theta energy: -87.339
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: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -816.016822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.016822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.016822 (E_RNA)
where:
Base-Base interactions energy: -463.684
where: short stacking energy: -251.012
Base-Backbone interact. energy: 1.604
local terms energy: -353.936864
where:
bonds (distance) C4'-P energy: -77.051
bonds (distance) P-C4' energy: -82.492
flat angles C4'-P-C4' energy: -95.477
flat angles P-C4'-P energy: -58.280
tors. eta vs tors. theta energy: -40.636
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: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -556.986081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.986081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.986081 (E_RNA)
where:
Base-Base interactions energy: -288.052
where: short stacking energy: -168.521
Base-Backbone interact. energy: -1.877
local terms energy: -267.057394
where:
bonds (distance) C4'-P energy: -89.221
bonds (distance) P-C4' energy: -71.809
flat angles C4'-P-C4' energy: -70.849
flat angles P-C4'-P energy: -38.308
tors. eta vs tors. theta energy: 3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1881.193546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.193546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.193546 (E_RNA)
where:
Base-Base interactions energy: -1367.156
where: short stacking energy: -509.977
Base-Backbone interact. energy: -4.198
local terms energy: -509.839698
where:
bonds (distance) C4'-P energy: -82.483
bonds (distance) P-C4' energy: -99.899
flat angles C4'-P-C4' energy: -112.545
flat angles P-C4'-P energy: -69.785
tors. eta vs tors. theta energy: -145.127
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: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1765.599990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.599990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.599990 (E_RNA)
where:
Base-Base interactions energy: -1235.984
where: short stacking energy: -515.939
Base-Backbone interact. energy: -2.686
local terms energy: -526.930016
where:
bonds (distance) C4'-P energy: -87.778
bonds (distance) P-C4' energy: -97.450
flat angles C4'-P-C4' energy: -113.695
flat angles P-C4'-P energy: -87.463
tors. eta vs tors. theta energy: -140.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1713.936683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.936683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.936683 (E_RNA)
where:
Base-Base interactions energy: -1211.597
where: short stacking energy: -496.551
Base-Backbone interact. energy: -2.960
local terms energy: -499.379001
where:
bonds (distance) C4'-P energy: -85.128
bonds (distance) P-C4' energy: -103.933
flat angles C4'-P-C4' energy: -103.012
flat angles P-C4'-P energy: -76.572
tors. eta vs tors. theta energy: -130.734
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: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1704.516697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.516697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.516697 (E_RNA)
where:
Base-Base interactions energy: -1227.803
where: short stacking energy: -493.896
Base-Backbone interact. energy: 0.070
local terms energy: -476.783698
where:
bonds (distance) C4'-P energy: -94.155
bonds (distance) P-C4' energy: -82.103
flat angles C4'-P-C4' energy: -108.209
flat angles P-C4'-P energy: -61.738
tors. eta vs tors. theta energy: -130.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1586.033516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.033516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.033516 (E_RNA)
where:
Base-Base interactions energy: -1119.444
where: short stacking energy: -437.871
Base-Backbone interact. energy: -0.659
local terms energy: -465.930359
where:
bonds (distance) C4'-P energy: -91.863
bonds (distance) P-C4' energy: -86.645
flat angles C4'-P-C4' energy: -108.402
flat angles P-C4'-P energy: -76.384
tors. eta vs tors. theta energy: -102.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1474.328338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.328338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.328338 (E_RNA)
where:
Base-Base interactions energy: -1024.241
where: short stacking energy: -429.882
Base-Backbone interact. energy: -1.935
local terms energy: -448.153248
where:
bonds (distance) C4'-P energy: -82.969
bonds (distance) P-C4' energy: -97.285
flat angles C4'-P-C4' energy: -97.348
flat angles P-C4'-P energy: -70.837
tors. eta vs tors. theta energy: -99.714
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: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1317.863571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.863571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.863571 (E_RNA)
where:
Base-Base interactions energy: -878.266
where: short stacking energy: -364.665
Base-Backbone interact. energy: -3.732
local terms energy: -435.865537
where:
bonds (distance) C4'-P energy: -108.377
bonds (distance) P-C4' energy: -76.594
flat angles C4'-P-C4' energy: -99.297
flat angles P-C4'-P energy: -68.808
tors. eta vs tors. theta energy: -82.788
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: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1243.379938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.379938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.379938 (E_RNA)
where:
Base-Base interactions energy: -874.736
where: short stacking energy: -368.861
Base-Backbone interact. energy: 3.469
local terms energy: -372.112953
where:
bonds (distance) C4'-P energy: -61.977
bonds (distance) P-C4' energy: -78.936
flat angles C4'-P-C4' energy: -94.057
flat angles P-C4'-P energy: -52.332
tors. eta vs tors. theta energy: -84.811
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: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -829.523312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.523312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.523312 (E_RNA)
where:
Base-Base interactions energy: -493.603
where: short stacking energy: -240.692
Base-Backbone interact. energy: 1.227
local terms energy: -337.147321
where:
bonds (distance) C4'-P energy: -86.090
bonds (distance) P-C4' energy: -78.529
flat angles C4'-P-C4' energy: -84.543
flat angles P-C4'-P energy: -55.779
tors. eta vs tors. theta energy: -32.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -530.533729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.533729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.533729 (E_RNA)
where:
Base-Base interactions energy: -261.087
where: short stacking energy: -152.697
Base-Backbone interact. energy: -2.236
local terms energy: -267.209994
where:
bonds (distance) C4'-P energy: -68.034
bonds (distance) P-C4' energy: -87.100
flat angles C4'-P-C4' energy: -80.194
flat angles P-C4'-P energy: -35.433
tors. eta vs tors. theta energy: 3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1898.681427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.681427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.681427 (E_RNA)
where:
Base-Base interactions energy: -1356.463
where: short stacking energy: -530.437
Base-Backbone interact. energy: -2.787
local terms energy: -539.431623
where:
bonds (distance) C4'-P energy: -102.376
bonds (distance) P-C4' energy: -112.490
flat angles C4'-P-C4' energy: -114.990
flat angles P-C4'-P energy: -70.165
tors. eta vs tors. theta energy: -139.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1780.686738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.686738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.686738 (E_RNA)
where:
Base-Base interactions energy: -1244.154
where: short stacking energy: -504.780
Base-Backbone interact. energy: -3.417
local terms energy: -533.115450
where:
bonds (distance) C4'-P energy: -99.087
bonds (distance) P-C4' energy: -94.122
flat angles C4'-P-C4' energy: -115.360
flat angles P-C4'-P energy: -80.756
tors. eta vs tors. theta energy: -143.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1725.840194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.840194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.840194 (E_RNA)
where:
Base-Base interactions energy: -1212.225
where: short stacking energy: -501.924
Base-Backbone interact. energy: 0.512
local terms energy: -514.126523
where:
bonds (distance) C4'-P energy: -94.129
bonds (distance) P-C4' energy: -92.783
flat angles C4'-P-C4' energy: -118.981
flat angles P-C4'-P energy: -78.340
tors. eta vs tors. theta energy: -129.894
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: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1658.256090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.256090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.256090 (E_RNA)
where:
Base-Base interactions energy: -1173.364
where: short stacking energy: -495.976
Base-Backbone interact. energy: -2.533
local terms energy: -482.358887
where:
bonds (distance) C4'-P energy: -79.594
bonds (distance) P-C4' energy: -82.297
flat angles C4'-P-C4' energy: -113.718
flat angles P-C4'-P energy: -72.745
tors. eta vs tors. theta energy: -134.005
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: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1529.297228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.297228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.297228 (E_RNA)
where:
Base-Base interactions energy: -1076.034
where: short stacking energy: -445.159
Base-Backbone interact. energy: -2.917
local terms energy: -450.346416
where:
bonds (distance) C4'-P energy: -87.623
bonds (distance) P-C4' energy: -87.937
flat angles C4'-P-C4' energy: -101.129
flat angles P-C4'-P energy: -64.703
tors. eta vs tors. theta energy: -108.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1478.166231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.166231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.166231 (E_RNA)
where:
Base-Base interactions energy: -1005.333
where: short stacking energy: -416.996
Base-Backbone interact. energy: -1.756
local terms energy: -471.076942
where:
bonds (distance) C4'-P energy: -94.773
bonds (distance) P-C4' energy: -90.337
flat angles C4'-P-C4' energy: -104.577
flat angles P-C4'-P energy: -76.131
tors. eta vs tors. theta energy: -105.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1312.194152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.194152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.194152 (E_RNA)
where:
Base-Base interactions energy: -908.831
where: short stacking energy: -360.272
Base-Backbone interact. energy: -1.831
local terms energy: -401.532602
where:
bonds (distance) C4'-P energy: -82.525
bonds (distance) P-C4' energy: -85.766
flat angles C4'-P-C4' energy: -89.905
flat angles P-C4'-P energy: -65.086
tors. eta vs tors. theta energy: -78.251
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: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1183.752762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.752762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.752762 (E_RNA)
where:
Base-Base interactions energy: -768.433
where: short stacking energy: -328.344
Base-Backbone interact. energy: -2.502
local terms energy: -412.817547
where:
bonds (distance) C4'-P energy: -78.772
bonds (distance) P-C4' energy: -97.535
flat angles C4'-P-C4' energy: -102.062
flat angles P-C4'-P energy: -51.998
tors. eta vs tors. theta energy: -82.450
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: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -781.971249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.971249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.971249 (E_RNA)
where:
Base-Base interactions energy: -458.109
where: short stacking energy: -246.728
Base-Backbone interact. energy: 2.233
local terms energy: -326.095336
where:
bonds (distance) C4'-P energy: -83.820
bonds (distance) P-C4' energy: -81.723
flat angles C4'-P-C4' energy: -80.933
flat angles P-C4'-P energy: -52.447
tors. eta vs tors. theta energy: -27.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -593.916640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.916640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.916640 (E_RNA)
where:
Base-Base interactions energy: -319.573
where: short stacking energy: -182.531
Base-Backbone interact. energy: 4.864
local terms energy: -279.207839
where:
bonds (distance) C4'-P energy: -66.799
bonds (distance) P-C4' energy: -80.142
flat angles C4'-P-C4' energy: -70.757
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: -10.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1873.445798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.445798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.445798 (E_RNA)
where:
Base-Base interactions energy: -1331.842
where: short stacking energy: -517.496
Base-Backbone interact. energy: -4.341
local terms energy: -537.263679
where:
bonds (distance) C4'-P energy: -92.933
bonds (distance) P-C4' energy: -114.385
flat angles C4'-P-C4' energy: -115.118
flat angles P-C4'-P energy: -77.140
tors. eta vs tors. theta energy: -137.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1761.540547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.540547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.540547 (E_RNA)
where:
Base-Base interactions energy: -1223.453
where: short stacking energy: -505.856
Base-Backbone interact. energy: -0.619
local terms energy: -537.469123
where:
bonds (distance) C4'-P energy: -95.485
bonds (distance) P-C4' energy: -107.321
flat angles C4'-P-C4' energy: -108.555
flat angles P-C4'-P energy: -75.954
tors. eta vs tors. theta energy: -150.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1705.707387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.707387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.707387 (E_RNA)
where:
Base-Base interactions energy: -1180.489
where: short stacking energy: -497.912
Base-Backbone interact. energy: -2.561
local terms energy: -522.656555
where:
bonds (distance) C4'-P energy: -100.972
bonds (distance) P-C4' energy: -113.400
flat angles C4'-P-C4' energy: -96.301
flat angles P-C4'-P energy: -77.673
tors. eta vs tors. theta energy: -134.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1636.864766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.864766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.864766 (E_RNA)
where:
Base-Base interactions energy: -1146.772
where: short stacking energy: -472.425
Base-Backbone interact. energy: -2.738
local terms energy: -487.354751
where:
bonds (distance) C4'-P energy: -86.463
bonds (distance) P-C4' energy: -106.029
flat angles C4'-P-C4' energy: -108.280
flat angles P-C4'-P energy: -60.210
tors. eta vs tors. theta energy: -126.373
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: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1536.820532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.820532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.820532 (E_RNA)
where:
Base-Base interactions energy: -1085.383
where: short stacking energy: -419.817
Base-Backbone interact. energy: 0.841
local terms energy: -452.278243
where:
bonds (distance) C4'-P energy: -90.659
bonds (distance) P-C4' energy: -83.095
flat angles C4'-P-C4' energy: -102.001
flat angles P-C4'-P energy: -70.918
tors. eta vs tors. theta energy: -105.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1477.692522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.692522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.692522 (E_RNA)
where:
Base-Base interactions energy: -1044.901
where: short stacking energy: -447.195
Base-Backbone interact. energy: -3.316
local terms energy: -429.476110
where:
bonds (distance) C4'-P energy: -85.465
bonds (distance) P-C4' energy: -91.664
flat angles C4'-P-C4' energy: -84.877
flat angles P-C4'-P energy: -52.507
tors. eta vs tors. theta energy: -114.964
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: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1343.017412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.017412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.017412 (E_RNA)
where:
Base-Base interactions energy: -938.665
where: short stacking energy: -395.784
Base-Backbone interact. energy: 2.838
local terms energy: -407.190146
where:
bonds (distance) C4'-P energy: -99.241
bonds (distance) P-C4' energy: -87.463
flat angles C4'-P-C4' energy: -65.231
flat angles P-C4'-P energy: -71.372
tors. eta vs tors. theta energy: -83.883
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: 222
Temperature: 1.250000
Total energy: -1146.194587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.194587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.194587 (E_RNA)
where:
Base-Base interactions energy: -781.579
where: short stacking energy: -337.270
Base-Backbone interact. energy: -5.594
local terms energy: -359.021208
where:
bonds (distance) C4'-P energy: -77.471
bonds (distance) P-C4' energy: -80.822
flat angles C4'-P-C4' energy: -79.754
flat angles P-C4'-P energy: -51.614
tors. eta vs tors. theta energy: -69.360
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: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -798.133805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.133805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.133805 (E_RNA)
where:
Base-Base interactions energy: -452.246
where: short stacking energy: -245.131
Base-Backbone interact. energy: -1.733
local terms energy: -344.154681
where:
bonds (distance) C4'-P energy: -65.358
bonds (distance) P-C4' energy: -100.170
flat angles C4'-P-C4' energy: -89.927
flat angles P-C4'-P energy: -45.494
tors. eta vs tors. theta energy: -43.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -636.312357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.312357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.312357 (E_RNA)
where:
Base-Base interactions energy: -358.766
where: short stacking energy: -182.993
Base-Backbone interact. energy: -3.398
local terms energy: -274.148170
where:
bonds (distance) C4'-P energy: -67.309
bonds (distance) P-C4' energy: -92.009
flat angles C4'-P-C4' energy: -66.154
flat angles P-C4'-P energy: -35.480
tors. eta vs tors. theta energy: -13.196
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: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1863.103085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.103085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.103085 (E_RNA)
where:
Base-Base interactions energy: -1328.384
where: short stacking energy: -532.425
Base-Backbone interact. energy: -5.407
local terms energy: -529.311453
where:
bonds (distance) C4'-P energy: -91.824
bonds (distance) P-C4' energy: -104.625
flat angles C4'-P-C4' energy: -108.261
flat angles P-C4'-P energy: -85.543
tors. eta vs tors. theta energy: -139.059
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: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1791.043381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.043381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.043381 (E_RNA)
where:
Base-Base interactions energy: -1256.186
where: short stacking energy: -525.743
Base-Backbone interact. energy: -1.474
local terms energy: -533.383596
where:
bonds (distance) C4'-P energy: -100.613
bonds (distance) P-C4' energy: -100.846
flat angles C4'-P-C4' energy: -119.919
flat angles P-C4'-P energy: -69.262
tors. eta vs tors. theta energy: -142.743
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: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1716.974494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.974494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.974494 (E_RNA)
where:
Base-Base interactions energy: -1217.927
where: short stacking energy: -501.936
Base-Backbone interact. energy: -2.671
local terms energy: -496.377116
where:
bonds (distance) C4'-P energy: -90.615
bonds (distance) P-C4' energy: -97.537
flat angles C4'-P-C4' energy: -106.840
flat angles P-C4'-P energy: -72.006
tors. eta vs tors. theta energy: -129.379
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: 223
Temperature: 1.050000
Total energy: -1684.266634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.266634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.266634 (E_RNA)
where:
Base-Base interactions energy: -1185.969
where: short stacking energy: -494.543
Base-Backbone interact. energy: -1.633
local terms energy: -496.664563
where:
bonds (distance) C4'-P energy: -91.505
bonds (distance) P-C4' energy: -101.004
flat angles C4'-P-C4' energy: -97.148
flat angles P-C4'-P energy: -79.203
tors. eta vs tors. theta energy: -127.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1562.871267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.871267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.871267 (E_RNA)
where:
Base-Base interactions energy: -1096.945
where: short stacking energy: -443.160
Base-Backbone interact. energy: -1.156
local terms energy: -464.770519
where:
bonds (distance) C4'-P energy: -83.624
bonds (distance) P-C4' energy: -85.060
flat angles C4'-P-C4' energy: -106.774
flat angles P-C4'-P energy: -69.695
tors. eta vs tors. theta energy: -119.618
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: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1438.082219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.082219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.082219 (E_RNA)
where:
Base-Base interactions energy: -1003.745
where: short stacking energy: -415.073
Base-Backbone interact. energy: 0.022
local terms energy: -434.359286
where:
bonds (distance) C4'-P energy: -78.192
bonds (distance) P-C4' energy: -90.185
flat angles C4'-P-C4' energy: -98.160
flat angles P-C4'-P energy: -61.122
tors. eta vs tors. theta energy: -106.700
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: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1350.718050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.718050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.718050 (E_RNA)
where:
Base-Base interactions energy: -901.417
where: short stacking energy: -375.366
Base-Backbone interact. energy: -0.520
local terms energy: -448.781313
where:
bonds (distance) C4'-P energy: -80.492
bonds (distance) P-C4' energy: -99.150
flat angles C4'-P-C4' energy: -99.173
flat angles P-C4'-P energy: -66.732
tors. eta vs tors. theta energy: -103.235
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: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1200.766468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.766468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.766468 (E_RNA)
where:
Base-Base interactions energy: -807.304
where: short stacking energy: -336.591
Base-Backbone interact. energy: -3.082
local terms energy: -390.381117
where:
bonds (distance) C4'-P energy: -74.379
bonds (distance) P-C4' energy: -84.644
flat angles C4'-P-C4' energy: -88.741
flat angles P-C4'-P energy: -62.977
tors. eta vs tors. theta energy: -79.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -781.413172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.413172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.413172 (E_RNA)
where:
Base-Base interactions energy: -434.702
where: short stacking energy: -217.284
Base-Backbone interact. energy: -2.648
local terms energy: -344.063729
where:
bonds (distance) C4'-P energy: -88.096
bonds (distance) P-C4' energy: -94.482
flat angles C4'-P-C4' energy: -73.860
flat angles P-C4'-P energy: -56.247
tors. eta vs tors. theta energy: -31.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -589.904102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.904102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.904102 (E_RNA)
where:
Base-Base interactions energy: -306.900
where: short stacking energy: -167.362
Base-Backbone interact. energy: -3.537
local terms energy: -279.466776
where:
bonds (distance) C4'-P energy: -79.629
bonds (distance) P-C4' energy: -86.606
flat angles C4'-P-C4' energy: -75.840
flat angles P-C4'-P energy: -47.071
tors. eta vs tors. theta energy: 9.680
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: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1860.141959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.141959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.141959 (E_RNA)
where:
Base-Base interactions energy: -1307.721
where: short stacking energy: -513.074
Base-Backbone interact. energy: -5.602
local terms energy: -546.818780
where:
bonds (distance) C4'-P energy: -103.243
bonds (distance) P-C4' energy: -104.620
flat angles C4'-P-C4' energy: -112.440
flat angles P-C4'-P energy: -80.371
tors. eta vs tors. theta energy: -146.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1766.327093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.327093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.327093 (E_RNA)
where:
Base-Base interactions energy: -1232.043
where: short stacking energy: -510.904
Base-Backbone interact. energy: -3.360
local terms energy: -530.924049
where:
bonds (distance) C4'-P energy: -94.811
bonds (distance) P-C4' energy: -100.699
flat angles C4'-P-C4' energy: -114.360
flat angles P-C4'-P energy: -76.069
tors. eta vs tors. theta energy: -144.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1744.890576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.890576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.890576 (E_RNA)
where:
Base-Base interactions energy: -1217.957
where: short stacking energy: -510.861
Base-Backbone interact. energy: -0.406
local terms energy: -526.527982
where:
bonds (distance) C4'-P energy: -101.338
bonds (distance) P-C4' energy: -104.607
flat angles C4'-P-C4' energy: -105.920
flat angles P-C4'-P energy: -80.938
tors. eta vs tors. theta energy: -133.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1657.778776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.778776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.778776 (E_RNA)
where:
Base-Base interactions energy: -1174.551
where: short stacking energy: -504.075
Base-Backbone interact. energy: -1.551
local terms energy: -481.676773
where:
bonds (distance) C4'-P energy: -83.223
bonds (distance) P-C4' energy: -78.844
flat angles C4'-P-C4' energy: -109.561
flat angles P-C4'-P energy: -78.949
tors. eta vs tors. theta energy: -131.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1607.072049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.072049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.072049 (E_RNA)
where:
Base-Base interactions energy: -1144.674
where: short stacking energy: -446.725
Base-Backbone interact. energy: -2.834
local terms energy: -459.563875
where:
bonds (distance) C4'-P energy: -83.697
bonds (distance) P-C4' energy: -100.625
flat angles C4'-P-C4' energy: -105.218
flat angles P-C4'-P energy: -52.968
tors. eta vs tors. theta energy: -117.055
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: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1478.986219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.986219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.986219 (E_RNA)
where:
Base-Base interactions energy: -1047.665
where: short stacking energy: -422.651
Base-Backbone interact. energy: 4.528
local terms energy: -435.849012
where:
bonds (distance) C4'-P energy: -74.467
bonds (distance) P-C4' energy: -97.625
flat angles C4'-P-C4' energy: -91.008
flat angles P-C4'-P energy: -57.738
tors. eta vs tors. theta energy: -115.010
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: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1379.570582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.570582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.570582 (E_RNA)
where:
Base-Base interactions energy: -958.132
where: short stacking energy: -397.486
Base-Backbone interact. energy: -0.373
local terms energy: -421.066020
where:
bonds (distance) C4'-P energy: -75.884
bonds (distance) P-C4' energy: -76.497
flat angles C4'-P-C4' energy: -103.420
flat angles P-C4'-P energy: -58.123
tors. eta vs tors. theta energy: -107.142
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: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1199.461095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.461095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.461095 (E_RNA)
where:
Base-Base interactions energy: -807.167
where: short stacking energy: -351.119
Base-Backbone interact. energy: 0.652
local terms energy: -392.945741
where:
bonds (distance) C4'-P energy: -100.533
bonds (distance) P-C4' energy: -90.422
flat angles C4'-P-C4' energy: -88.242
flat angles P-C4'-P energy: -41.243
tors. eta vs tors. theta energy: -72.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -784.342296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.342296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.342296 (E_RNA)
where:
Base-Base interactions energy: -488.767
where: short stacking energy: -232.903
Base-Backbone interact. energy: 0.176
local terms energy: -295.750860
where:
bonds (distance) C4'-P energy: -73.776
bonds (distance) P-C4' energy: -90.271
flat angles C4'-P-C4' energy: -74.580
flat angles P-C4'-P energy: -44.243
tors. eta vs tors. theta energy: -12.882
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: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -590.098110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.098110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.098110 (E_RNA)
where:
Base-Base interactions energy: -294.127
where: short stacking energy: -176.160
Base-Backbone interact. energy: -2.683
local terms energy: -293.287433
where:
bonds (distance) C4'-P energy: -77.325
bonds (distance) P-C4' energy: -91.821
flat angles C4'-P-C4' energy: -82.044
flat angles P-C4'-P energy: -51.865
tors. eta vs tors. theta energy: 9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1858.698811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.698811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.698811 (E_RNA)
where:
Base-Base interactions energy: -1302.158
where: short stacking energy: -508.759
Base-Backbone interact. energy: -6.075
local terms energy: -550.466376
where:
bonds (distance) C4'-P energy: -110.421
bonds (distance) P-C4' energy: -106.941
flat angles C4'-P-C4' energy: -122.857
flat angles P-C4'-P energy: -68.277
tors. eta vs tors. theta energy: -141.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1794.522630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.522630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.522630 (E_RNA)
where:
Base-Base interactions energy: -1267.494
where: short stacking energy: -506.237
Base-Backbone interact. energy: 1.387
local terms energy: -528.415889
where:
bonds (distance) C4'-P energy: -99.463
bonds (distance) P-C4' energy: -105.426
flat angles C4'-P-C4' energy: -112.334
flat angles P-C4'-P energy: -69.745
tors. eta vs tors. theta energy: -141.448
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: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1693.650668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.650668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.650668 (E_RNA)
where:
Base-Base interactions energy: -1183.171
where: short stacking energy: -493.366
Base-Backbone interact. energy: 2.639
local terms energy: -513.118399
where:
bonds (distance) C4'-P energy: -96.659
bonds (distance) P-C4' energy: -102.991
flat angles C4'-P-C4' energy: -113.547
flat angles P-C4'-P energy: -72.017
tors. eta vs tors. theta energy: -127.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1659.008133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.008133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.008133 (E_RNA)
where:
Base-Base interactions energy: -1178.343
where: short stacking energy: -484.169
Base-Backbone interact. energy: -4.343
local terms energy: -476.322139
where:
bonds (distance) C4'-P energy: -78.687
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -106.757
flat angles P-C4'-P energy: -69.106
tors. eta vs tors. theta energy: -134.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1589.170700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.170700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.170700 (E_RNA)
where:
Base-Base interactions energy: -1106.690
where: short stacking energy: -451.686
Base-Backbone interact. energy: -3.350
local terms energy: -479.131089
where:
bonds (distance) C4'-P energy: -91.143
bonds (distance) P-C4' energy: -84.702
flat angles C4'-P-C4' energy: -105.014
flat angles P-C4'-P energy: -74.100
tors. eta vs tors. theta energy: -124.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1505.570029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.570029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.570029 (E_RNA)
where:
Base-Base interactions energy: -1037.013
where: short stacking energy: -430.917
Base-Backbone interact. energy: 2.749
local terms energy: -471.305665
where:
bonds (distance) C4'-P energy: -85.623
bonds (distance) P-C4' energy: -103.770
flat angles C4'-P-C4' energy: -85.282
flat angles P-C4'-P energy: -77.180
tors. eta vs tors. theta energy: -119.450
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: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1363.779477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.779477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.779477 (E_RNA)
where:
Base-Base interactions energy: -950.441
where: short stacking energy: -389.219
Base-Backbone interact. energy: 1.467
local terms energy: -414.805947
where:
bonds (distance) C4'-P energy: -78.005
bonds (distance) P-C4' energy: -95.212
flat angles C4'-P-C4' energy: -96.088
flat angles P-C4'-P energy: -52.395
tors. eta vs tors. theta energy: -93.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1224.322487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.322487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.322487 (E_RNA)
where:
Base-Base interactions energy: -856.550
where: short stacking energy: -349.130
Base-Backbone interact. energy: 0.867
local terms energy: -368.639413
where:
bonds (distance) C4'-P energy: -70.924
bonds (distance) P-C4' energy: -84.951
flat angles C4'-P-C4' energy: -89.440
flat angles P-C4'-P energy: -46.888
tors. eta vs tors. theta energy: -76.437
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: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -800.087110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.087110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.087110 (E_RNA)
where:
Base-Base interactions energy: -480.732
where: short stacking energy: -230.729
Base-Backbone interact. energy: 0.124
local terms energy: -319.479114
where:
bonds (distance) C4'-P energy: -80.851
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -90.294
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -11.891
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: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -585.016966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.016966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.016966 (E_RNA)
where:
Base-Base interactions energy: -269.558
where: short stacking energy: -150.806
Base-Backbone interact. energy: -0.710
local terms energy: -314.748763
where:
bonds (distance) C4'-P energy: -90.768
bonds (distance) P-C4' energy: -77.141
flat angles C4'-P-C4' energy: -90.667
flat angles P-C4'-P energy: -57.149
tors. eta vs tors. theta energy: 0.977
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: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1839.686407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.686407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.686407 (E_RNA)
where:
Base-Base interactions energy: -1275.154
where: short stacking energy: -515.157
Base-Backbone interact. energy: -4.495
local terms energy: -560.036852
where:
bonds (distance) C4'-P energy: -106.633
bonds (distance) P-C4' energy: -113.407
flat angles C4'-P-C4' energy: -120.227
flat angles P-C4'-P energy: -76.274
tors. eta vs tors. theta energy: -143.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1774.692452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.692452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.692452 (E_RNA)
where:
Base-Base interactions energy: -1232.774
where: short stacking energy: -514.734
Base-Backbone interact. energy: -0.401
local terms energy: -541.517248
where:
bonds (distance) C4'-P energy: -103.201
bonds (distance) P-C4' energy: -104.056
flat angles C4'-P-C4' energy: -110.143
flat angles P-C4'-P energy: -85.982
tors. eta vs tors. theta energy: -138.136
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: 226
Temperature: 1.000000
Total energy: -1722.720535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.720535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.720535 (E_RNA)
where:
Base-Base interactions energy: -1207.690
where: short stacking energy: -506.174
Base-Backbone interact. energy: -3.168
local terms energy: -511.862163
where:
bonds (distance) C4'-P energy: -93.267
bonds (distance) P-C4' energy: -108.406
flat angles C4'-P-C4' energy: -105.235
flat angles P-C4'-P energy: -69.241
tors. eta vs tors. theta energy: -135.714
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: 226
Temperature: 1.050000
Total energy: -1651.263089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.263089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.263089 (E_RNA)
where:
Base-Base interactions energy: -1161.828
where: short stacking energy: -444.185
Base-Backbone interact. energy: -3.879
local terms energy: -485.556047
where:
bonds (distance) C4'-P energy: -92.015
bonds (distance) P-C4' energy: -90.777
flat angles C4'-P-C4' energy: -112.538
flat angles P-C4'-P energy: -73.948
tors. eta vs tors. theta energy: -116.279
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: 226
Temperature: 1.100000
Total energy: -1599.278097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.278097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.278097 (E_RNA)
where:
Base-Base interactions energy: -1109.745
where: short stacking energy: -426.205
Base-Backbone interact. energy: -1.967
local terms energy: -487.566425
where:
bonds (distance) C4'-P energy: -95.115
bonds (distance) P-C4' energy: -85.803
flat angles C4'-P-C4' energy: -113.405
flat angles P-C4'-P energy: -73.019
tors. eta vs tors. theta energy: -120.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1464.096208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.096208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.096208 (E_RNA)
where:
Base-Base interactions energy: -1026.731
where: short stacking energy: -422.096
Base-Backbone interact. energy: -4.256
local terms energy: -433.109196
where:
bonds (distance) C4'-P energy: -84.736
bonds (distance) P-C4' energy: -92.237
flat angles C4'-P-C4' energy: -97.945
flat angles P-C4'-P energy: -56.810
tors. eta vs tors. theta energy: -101.381
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: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1387.119992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.119992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.119992 (E_RNA)
where:
Base-Base interactions energy: -921.342
where: short stacking energy: -393.972
Base-Backbone interact. energy: -2.078
local terms energy: -463.700268
where:
bonds (distance) C4'-P energy: -96.004
bonds (distance) P-C4' energy: -104.880
flat angles C4'-P-C4' energy: -97.577
flat angles P-C4'-P energy: -57.702
tors. eta vs tors. theta energy: -107.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1249.131124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.131124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.131124 (E_RNA)
where:
Base-Base interactions energy: -834.451
where: short stacking energy: -364.487
Base-Backbone interact. energy: -5.409
local terms energy: -409.270296
where:
bonds (distance) C4'-P energy: -85.238
bonds (distance) P-C4' energy: -79.654
flat angles C4'-P-C4' energy: -92.805
flat angles P-C4'-P energy: -71.999
tors. eta vs tors. theta energy: -79.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -772.090556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.090556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.090556 (E_RNA)
where:
Base-Base interactions energy: -451.663
where: short stacking energy: -234.711
Base-Backbone interact. energy: -1.595
local terms energy: -318.832466
where:
bonds (distance) C4'-P energy: -82.356
bonds (distance) P-C4' energy: -97.188
flat angles C4'-P-C4' energy: -78.674
flat angles P-C4'-P energy: -30.594
tors. eta vs tors. theta energy: -30.021
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: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -533.733790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.733790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.733790 (E_RNA)
where:
Base-Base interactions energy: -247.200
where: short stacking energy: -146.182
Base-Backbone interact. energy: 1.753
local terms energy: -288.287001
where:
bonds (distance) C4'-P energy: -71.279
bonds (distance) P-C4' energy: -101.556
flat angles C4'-P-C4' energy: -70.387
flat angles P-C4'-P energy: -56.126
tors. eta vs tors. theta energy: 11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1842.555541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.555541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.555541 (E_RNA)
where:
Base-Base interactions energy: -1298.503
where: short stacking energy: -526.967
Base-Backbone interact. energy: -4.421
local terms energy: -539.631434
where:
bonds (distance) C4'-P energy: -91.564
bonds (distance) P-C4' energy: -101.087
flat angles C4'-P-C4' energy: -122.456
flat angles P-C4'-P energy: -74.035
tors. eta vs tors. theta energy: -150.490
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: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1768.741623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.741623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.741623 (E_RNA)
where:
Base-Base interactions energy: -1251.369
where: short stacking energy: -505.633
Base-Backbone interact. energy: -3.585
local terms energy: -513.787604
where:
bonds (distance) C4'-P energy: -91.792
bonds (distance) P-C4' energy: -102.706
flat angles C4'-P-C4' energy: -112.012
flat angles P-C4'-P energy: -65.633
tors. eta vs tors. theta energy: -141.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1688.494837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.494837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.494837 (E_RNA)
where:
Base-Base interactions energy: -1209.896
where: short stacking energy: -481.448
Base-Backbone interact. energy: -4.676
local terms energy: -473.922757
where:
bonds (distance) C4'-P energy: -85.770
bonds (distance) P-C4' energy: -91.479
flat angles C4'-P-C4' energy: -101.565
flat angles P-C4'-P energy: -68.722
tors. eta vs tors. theta energy: -126.386
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: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1660.748633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.748633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.748633 (E_RNA)
where:
Base-Base interactions energy: -1171.060
where: short stacking energy: -445.185
Base-Backbone interact. energy: -4.736
local terms energy: -484.952566
where:
bonds (distance) C4'-P energy: -94.240
bonds (distance) P-C4' energy: -94.377
flat angles C4'-P-C4' energy: -107.258
flat angles P-C4'-P energy: -69.549
tors. eta vs tors. theta energy: -119.529
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: 227
Temperature: 1.100000
Total energy: -1630.534569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.534569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.534569 (E_RNA)
where:
Base-Base interactions energy: -1148.727
where: short stacking energy: -431.904
Base-Backbone interact. energy: -4.429
local terms energy: -477.379313
where:
bonds (distance) C4'-P energy: -84.979
bonds (distance) P-C4' energy: -95.706
flat angles C4'-P-C4' energy: -105.132
flat angles P-C4'-P energy: -65.208
tors. eta vs tors. theta energy: -126.355
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: 227
Temperature: 1.150000
Total energy: -1441.052674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.052674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.052674 (E_RNA)
where:
Base-Base interactions energy: -1019.445
where: short stacking energy: -393.471
Base-Backbone interact. energy: -2.790
local terms energy: -418.818048
where:
bonds (distance) C4'-P energy: -92.139
bonds (distance) P-C4' energy: -83.657
flat angles C4'-P-C4' energy: -89.488
flat angles P-C4'-P energy: -73.261
tors. eta vs tors. theta energy: -80.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1390.774248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.774248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.774248 (E_RNA)
where:
Base-Base interactions energy: -972.066
where: short stacking energy: -398.655
Base-Backbone interact. energy: -1.039
local terms energy: -417.669206
where:
bonds (distance) C4'-P energy: -82.029
bonds (distance) P-C4' energy: -78.772
flat angles C4'-P-C4' energy: -93.804
flat angles P-C4'-P energy: -59.704
tors. eta vs tors. theta energy: -103.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1207.647849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.647849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.647849 (E_RNA)
where:
Base-Base interactions energy: -811.365
where: short stacking energy: -337.265
Base-Backbone interact. energy: -1.816
local terms energy: -394.466326
where:
bonds (distance) C4'-P energy: -89.136
bonds (distance) P-C4' energy: -89.734
flat angles C4'-P-C4' energy: -92.671
flat angles P-C4'-P energy: -51.956
tors. eta vs tors. theta energy: -70.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -794.914943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.914943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.914943 (E_RNA)
where:
Base-Base interactions energy: -490.030
where: short stacking energy: -257.213
Base-Backbone interact. energy: -1.052
local terms energy: -303.832516
where:
bonds (distance) C4'-P energy: -63.733
bonds (distance) P-C4' energy: -88.323
flat angles C4'-P-C4' energy: -68.412
flat angles P-C4'-P energy: -56.969
tors. eta vs tors. theta energy: -26.396
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: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -509.114277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.114277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.114277 (E_RNA)
where:
Base-Base interactions energy: -261.463
where: short stacking energy: -154.655
Base-Backbone interact. energy: 1.421
local terms energy: -249.072380
where:
bonds (distance) C4'-P energy: -86.009
bonds (distance) P-C4' energy: -70.824
flat angles C4'-P-C4' energy: -61.066
flat angles P-C4'-P energy: -44.819
tors. eta vs tors. theta energy: 13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1828.542039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.542039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.542039 (E_RNA)
where:
Base-Base interactions energy: -1296.226
where: short stacking energy: -516.957
Base-Backbone interact. energy: -3.608
local terms energy: -528.708770
where:
bonds (distance) C4'-P energy: -96.570
bonds (distance) P-C4' energy: -100.470
flat angles C4'-P-C4' energy: -108.882
flat angles P-C4'-P energy: -83.069
tors. eta vs tors. theta energy: -139.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1772.253801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.253801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.253801 (E_RNA)
where:
Base-Base interactions energy: -1255.636
where: short stacking energy: -524.871
Base-Backbone interact. energy: -4.411
local terms energy: -512.206290
where:
bonds (distance) C4'-P energy: -92.166
bonds (distance) P-C4' energy: -95.693
flat angles C4'-P-C4' energy: -107.540
flat angles P-C4'-P energy: -74.654
tors. eta vs tors. theta energy: -142.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1699.649255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.649255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.649255 (E_RNA)
where:
Base-Base interactions energy: -1187.835
where: short stacking energy: -493.583
Base-Backbone interact. energy: -1.469
local terms energy: -510.345731
where:
bonds (distance) C4'-P energy: -110.230
bonds (distance) P-C4' energy: -101.364
flat angles C4'-P-C4' energy: -101.168
flat angles P-C4'-P energy: -76.859
tors. eta vs tors. theta energy: -120.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1681.925034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.925034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.925034 (E_RNA)
where:
Base-Base interactions energy: -1197.766
where: short stacking energy: -467.551
Base-Backbone interact. energy: -2.197
local terms energy: -481.962540
where:
bonds (distance) C4'-P energy: -88.826
bonds (distance) P-C4' energy: -96.218
flat angles C4'-P-C4' energy: -101.465
flat angles P-C4'-P energy: -71.839
tors. eta vs tors. theta energy: -123.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1634.052211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.052211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.052211 (E_RNA)
where:
Base-Base interactions energy: -1136.503
where: short stacking energy: -470.022
Base-Backbone interact. energy: 0.794
local terms energy: -498.343434
where:
bonds (distance) C4'-P energy: -101.121
bonds (distance) P-C4' energy: -91.664
flat angles C4'-P-C4' energy: -99.888
flat angles P-C4'-P energy: -70.974
tors. eta vs tors. theta energy: -134.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1450.321412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.321412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.321412 (E_RNA)
where:
Base-Base interactions energy: -1015.610
where: short stacking energy: -420.218
Base-Backbone interact. energy: 3.629
local terms energy: -438.339611
where:
bonds (distance) C4'-P energy: -78.268
bonds (distance) P-C4' energy: -97.997
flat angles C4'-P-C4' energy: -96.541
flat angles P-C4'-P energy: -69.009
tors. eta vs tors. theta energy: -96.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1445.676979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.676979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.676979 (E_RNA)
where:
Base-Base interactions energy: -1005.081
where: short stacking energy: -407.109
Base-Backbone interact. energy: -3.808
local terms energy: -436.787385
where:
bonds (distance) C4'-P energy: -89.333
bonds (distance) P-C4' energy: -74.839
flat angles C4'-P-C4' energy: -101.372
flat angles P-C4'-P energy: -66.377
tors. eta vs tors. theta energy: -104.866
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: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1194.922808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.922808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.922808 (E_RNA)
where:
Base-Base interactions energy: -787.785
where: short stacking energy: -319.380
Base-Backbone interact. energy: -1.506
local terms energy: -405.631544
where:
bonds (distance) C4'-P energy: -82.224
bonds (distance) P-C4' energy: -93.211
flat angles C4'-P-C4' energy: -101.721
flat angles P-C4'-P energy: -55.238
tors. eta vs tors. theta energy: -73.238
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: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -784.573404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.573404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.573404 (E_RNA)
where:
Base-Base interactions energy: -451.230
where: short stacking energy: -241.887
Base-Backbone interact. energy: -1.438
local terms energy: -331.904804
where:
bonds (distance) C4'-P energy: -89.179
bonds (distance) P-C4' energy: -89.992
flat angles C4'-P-C4' energy: -70.453
flat angles P-C4'-P energy: -60.448
tors. eta vs tors. theta energy: -21.832
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: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -507.717672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.717672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.717672 (E_RNA)
where:
Base-Base interactions energy: -239.489
where: short stacking energy: -137.413
Base-Backbone interact. energy: 9.945
local terms energy: -278.173422
where:
bonds (distance) C4'-P energy: -94.997
bonds (distance) P-C4' energy: -86.322
flat angles C4'-P-C4' energy: -70.519
flat angles P-C4'-P energy: -31.205
tors. eta vs tors. theta energy: 4.870
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: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1843.625049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.625049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.625049 (E_RNA)
where:
Base-Base interactions energy: -1310.953
where: short stacking energy: -524.431
Base-Backbone interact. energy: 0.755
local terms energy: -533.427075
where:
bonds (distance) C4'-P energy: -97.028
bonds (distance) P-C4' energy: -105.351
flat angles C4'-P-C4' energy: -109.409
flat angles P-C4'-P energy: -74.863
tors. eta vs tors. theta energy: -146.776
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: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1776.960257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.960257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.960257 (E_RNA)
where:
Base-Base interactions energy: -1227.566
where: short stacking energy: -516.073
Base-Backbone interact. energy: -1.663
local terms energy: -547.730741
where:
bonds (distance) C4'-P energy: -107.947
bonds (distance) P-C4' energy: -100.942
flat angles C4'-P-C4' energy: -110.578
flat angles P-C4'-P energy: -86.167
tors. eta vs tors. theta energy: -142.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1679.045925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.045925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.045925 (E_RNA)
where:
Base-Base interactions energy: -1193.567
where: short stacking energy: -489.800
Base-Backbone interact. energy: -3.019
local terms energy: -482.460236
where:
bonds (distance) C4'-P energy: -84.235
bonds (distance) P-C4' energy: -94.105
flat angles C4'-P-C4' energy: -103.798
flat angles P-C4'-P energy: -72.203
tors. eta vs tors. theta energy: -128.119
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: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1649.357259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.357259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.357259 (E_RNA)
where:
Base-Base interactions energy: -1141.546
where: short stacking energy: -487.678
Base-Backbone interact. energy: -0.842
local terms energy: -506.969029
where:
bonds (distance) C4'-P energy: -81.610
bonds (distance) P-C4' energy: -94.309
flat angles C4'-P-C4' energy: -110.599
flat angles P-C4'-P energy: -79.355
tors. eta vs tors. theta energy: -141.096
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: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1582.664601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.664601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.664601 (E_RNA)
where:
Base-Base interactions energy: -1115.873
where: short stacking energy: -425.629
Base-Backbone interact. energy: -7.209
local terms energy: -459.582762
where:
bonds (distance) C4'-P energy: -91.392
bonds (distance) P-C4' energy: -92.971
flat angles C4'-P-C4' energy: -99.660
flat angles P-C4'-P energy: -58.476
tors. eta vs tors. theta energy: -117.083
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: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1443.792780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.792780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.792780 (E_RNA)
where:
Base-Base interactions energy: -989.919
where: short stacking energy: -412.082
Base-Backbone interact. energy: -1.702
local terms energy: -452.171387
where:
bonds (distance) C4'-P energy: -97.346
bonds (distance) P-C4' energy: -94.207
flat angles C4'-P-C4' energy: -101.619
flat angles P-C4'-P energy: -61.540
tors. eta vs tors. theta energy: -97.458
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: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1430.848602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.848602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.848602 (E_RNA)
where:
Base-Base interactions energy: -1012.746
where: short stacking energy: -399.636
Base-Backbone interact. energy: -2.628
local terms energy: -415.475022
where:
bonds (distance) C4'-P energy: -86.638
bonds (distance) P-C4' energy: -77.512
flat angles C4'-P-C4' energy: -88.301
flat angles P-C4'-P energy: -61.886
tors. eta vs tors. theta energy: -101.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1208.233273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.233273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.233273 (E_RNA)
where:
Base-Base interactions energy: -817.119
where: short stacking energy: -358.401
Base-Backbone interact. energy: 1.381
local terms energy: -392.494959
where:
bonds (distance) C4'-P energy: -80.041
bonds (distance) P-C4' energy: -79.686
flat angles C4'-P-C4' energy: -102.980
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -85.611
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: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -758.894282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.894282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.894282 (E_RNA)
where:
Base-Base interactions energy: -427.583
where: short stacking energy: -236.634
Base-Backbone interact. energy: -0.955
local terms energy: -330.356084
where:
bonds (distance) C4'-P energy: -89.791
bonds (distance) P-C4' energy: -82.542
flat angles C4'-P-C4' energy: -77.434
flat angles P-C4'-P energy: -57.094
tors. eta vs tors. theta energy: -23.495
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: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -569.471636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.471636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.471636 (E_RNA)
where:
Base-Base interactions energy: -267.056
where: short stacking energy: -179.311
Base-Backbone interact. energy: 0.503
local terms energy: -302.918785
where:
bonds (distance) C4'-P energy: -89.686
bonds (distance) P-C4' energy: -82.569
flat angles C4'-P-C4' energy: -70.022
flat angles P-C4'-P energy: -53.196
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1840.555563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.555563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.555563 (E_RNA)
where:
Base-Base interactions energy: -1299.994
where: short stacking energy: -502.673
Base-Backbone interact. energy: -2.618
local terms energy: -537.944395
where:
bonds (distance) C4'-P energy: -105.781
bonds (distance) P-C4' energy: -102.173
flat angles C4'-P-C4' energy: -112.727
flat angles P-C4'-P energy: -80.161
tors. eta vs tors. theta energy: -137.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1756.409765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.409765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.409765 (E_RNA)
where:
Base-Base interactions energy: -1228.117
where: short stacking energy: -511.999
Base-Backbone interact. energy: -2.609
local terms energy: -525.683989
where:
bonds (distance) C4'-P energy: -102.747
bonds (distance) P-C4' energy: -95.817
flat angles C4'-P-C4' energy: -108.741
flat angles P-C4'-P energy: -70.245
tors. eta vs tors. theta energy: -148.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1697.789835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.789835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.789835 (E_RNA)
where:
Base-Base interactions energy: -1189.223
where: short stacking energy: -492.166
Base-Backbone interact. energy: -2.113
local terms energy: -506.454484
where:
bonds (distance) C4'-P energy: -94.610
bonds (distance) P-C4' energy: -114.517
flat angles C4'-P-C4' energy: -92.323
flat angles P-C4'-P energy: -69.830
tors. eta vs tors. theta energy: -135.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1624.952950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.952950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.952950 (E_RNA)
where:
Base-Base interactions energy: -1129.079
where: short stacking energy: -465.632
Base-Backbone interact. energy: -1.566
local terms energy: -494.307708
where:
bonds (distance) C4'-P energy: -97.753
bonds (distance) P-C4' energy: -92.806
flat angles C4'-P-C4' energy: -112.549
flat angles P-C4'-P energy: -75.855
tors. eta vs tors. theta energy: -115.345
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: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1566.748353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.748353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.748353 (E_RNA)
where:
Base-Base interactions energy: -1094.075
where: short stacking energy: -448.084
Base-Backbone interact. energy: -3.628
local terms energy: -469.046002
where:
bonds (distance) C4'-P energy: -91.880
bonds (distance) P-C4' energy: -100.841
flat angles C4'-P-C4' energy: -104.784
flat angles P-C4'-P energy: -58.069
tors. eta vs tors. theta energy: -113.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1441.148863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.148863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.148863 (E_RNA)
where:
Base-Base interactions energy: -1010.757
where: short stacking energy: -440.144
Base-Backbone interact. energy: 9.626
local terms energy: -440.018272
where:
bonds (distance) C4'-P energy: -78.306
bonds (distance) P-C4' energy: -83.271
flat angles C4'-P-C4' energy: -104.698
flat angles P-C4'-P energy: -67.603
tors. eta vs tors. theta energy: -106.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1447.847922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.847922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.847922 (E_RNA)
where:
Base-Base interactions energy: -983.002
where: short stacking energy: -409.774
Base-Backbone interact. energy: -0.611
local terms energy: -464.234285
where:
bonds (distance) C4'-P energy: -76.976
bonds (distance) P-C4' energy: -95.176
flat angles C4'-P-C4' energy: -105.645
flat angles P-C4'-P energy: -78.021
tors. eta vs tors. theta energy: -108.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1216.688124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.688124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.688124 (E_RNA)
where:
Base-Base interactions energy: -820.914
where: short stacking energy: -344.353
Base-Backbone interact. energy: -1.672
local terms energy: -394.102476
where:
bonds (distance) C4'-P energy: -82.995
bonds (distance) P-C4' energy: -78.399
flat angles C4'-P-C4' energy: -92.511
flat angles P-C4'-P energy: -62.585
tors. eta vs tors. theta energy: -77.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -781.894670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.894670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.894670 (E_RNA)
where:
Base-Base interactions energy: -447.959
where: short stacking energy: -231.571
Base-Backbone interact. energy: -0.522
local terms energy: -333.412780
where:
bonds (distance) C4'-P energy: -68.137
bonds (distance) P-C4' energy: -88.240
flat angles C4'-P-C4' energy: -99.765
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: -35.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -548.884232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.884232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.884232 (E_RNA)
where:
Base-Base interactions energy: -283.015
where: short stacking energy: -208.779
Base-Backbone interact. energy: 2.105
local terms energy: -267.974156
where:
bonds (distance) C4'-P energy: -79.816
bonds (distance) P-C4' energy: -79.452
flat angles C4'-P-C4' energy: -60.390
flat angles P-C4'-P energy: -38.989
tors. eta vs tors. theta energy: -9.326
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: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1844.519152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.519152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.519152 (E_RNA)
where:
Base-Base interactions energy: -1317.799
where: short stacking energy: -525.742
Base-Backbone interact. energy: -3.603
local terms energy: -523.117142
where:
bonds (distance) C4'-P energy: -101.598
bonds (distance) P-C4' energy: -85.279
flat angles C4'-P-C4' energy: -111.111
flat angles P-C4'-P energy: -82.010
tors. eta vs tors. theta energy: -143.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1765.811875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.811875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.811875 (E_RNA)
where:
Base-Base interactions energy: -1214.622
where: short stacking energy: -504.335
Base-Backbone interact. energy: -1.606
local terms energy: -549.583601
where:
bonds (distance) C4'-P energy: -99.500
bonds (distance) P-C4' energy: -112.401
flat angles C4'-P-C4' energy: -118.627
flat angles P-C4'-P energy: -68.411
tors. eta vs tors. theta energy: -150.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1697.266447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.266447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.266447 (E_RNA)
where:
Base-Base interactions energy: -1191.111
where: short stacking energy: -485.190
Base-Backbone interact. energy: -2.807
local terms energy: -503.348740
where:
bonds (distance) C4'-P energy: -97.810
bonds (distance) P-C4' energy: -84.705
flat angles C4'-P-C4' energy: -117.178
flat angles P-C4'-P energy: -70.696
tors. eta vs tors. theta energy: -132.960
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: 4, replica: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1630.428939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.428939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.428939 (E_RNA)
where:
Base-Base interactions energy: -1132.724
where: short stacking energy: -472.572
Base-Backbone interact. energy: -1.993
local terms energy: -495.711649
where:
bonds (distance) C4'-P energy: -83.908
bonds (distance) P-C4' energy: -92.793
flat angles C4'-P-C4' energy: -109.432
flat angles P-C4'-P energy: -81.587
tors. eta vs tors. theta energy: -127.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1579.330333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.330333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.330333 (E_RNA)
where:
Base-Base interactions energy: -1094.231
where: short stacking energy: -472.028
Base-Backbone interact. energy: -1.899
local terms energy: -483.201071
where:
bonds (distance) C4'-P energy: -98.435
bonds (distance) P-C4' energy: -98.187
flat angles C4'-P-C4' energy: -101.110
flat angles P-C4'-P energy: -66.041
tors. eta vs tors. theta energy: -119.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1444.895868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.895868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.895868 (E_RNA)
where:
Base-Base interactions energy: -1007.410
where: short stacking energy: -409.049
Base-Backbone interact. energy: -0.076
local terms energy: -437.409657
where:
bonds (distance) C4'-P energy: -82.987
bonds (distance) P-C4' energy: -98.248
flat angles C4'-P-C4' energy: -103.940
flat angles P-C4'-P energy: -59.651
tors. eta vs tors. theta energy: -92.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1428.091216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.091216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.091216 (E_RNA)
where:
Base-Base interactions energy: -972.787
where: short stacking energy: -400.327
Base-Backbone interact. energy: -1.125
local terms energy: -454.178733
where:
bonds (distance) C4'-P energy: -92.728
bonds (distance) P-C4' energy: -88.146
flat angles C4'-P-C4' energy: -99.616
flat angles P-C4'-P energy: -71.370
tors. eta vs tors. theta energy: -102.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1198.630991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.630991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.630991 (E_RNA)
where:
Base-Base interactions energy: -833.528
where: short stacking energy: -351.792
Base-Backbone interact. energy: -0.472
local terms energy: -364.631512
where:
bonds (distance) C4'-P energy: -78.722
bonds (distance) P-C4' energy: -70.263
flat angles C4'-P-C4' energy: -87.739
flat angles P-C4'-P energy: -47.454
tors. eta vs tors. theta energy: -80.453
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: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -776.304453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.304453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.304453 (E_RNA)
where:
Base-Base interactions energy: -442.721
where: short stacking energy: -225.260
Base-Backbone interact. energy: -0.783
local terms energy: -332.800013
where:
bonds (distance) C4'-P energy: -101.104
bonds (distance) P-C4' energy: -90.016
flat angles C4'-P-C4' energy: -77.493
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -23.155
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: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -532.995830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.995830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.995830 (E_RNA)
where:
Base-Base interactions energy: -234.582
where: short stacking energy: -141.594
Base-Backbone interact. energy: -0.281
local terms energy: -298.131968
where:
bonds (distance) C4'-P energy: -68.152
bonds (distance) P-C4' energy: -96.488
flat angles C4'-P-C4' energy: -78.047
flat angles P-C4'-P energy: -48.482
tors. eta vs tors. theta energy: -6.964
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: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1859.951227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.951227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.951227 (E_RNA)
where:
Base-Base interactions energy: -1310.589
where: short stacking energy: -536.567
Base-Backbone interact. energy: -0.202
local terms energy: -549.160727
where:
bonds (distance) C4'-P energy: -101.960
bonds (distance) P-C4' energy: -97.096
flat angles C4'-P-C4' energy: -118.701
flat angles P-C4'-P energy: -86.596
tors. eta vs tors. theta energy: -144.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1756.036290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.036290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.036290 (E_RNA)
where:
Base-Base interactions energy: -1242.518
where: short stacking energy: -518.693
Base-Backbone interact. energy: 0.142
local terms energy: -513.660306
where:
bonds (distance) C4'-P energy: -105.318
bonds (distance) P-C4' energy: -86.956
flat angles C4'-P-C4' energy: -105.562
flat angles P-C4'-P energy: -74.379
tors. eta vs tors. theta energy: -141.446
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: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1681.308152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.308152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.308152 (E_RNA)
where:
Base-Base interactions energy: -1184.898
where: short stacking energy: -482.073
Base-Backbone interact. energy: -2.150
local terms energy: -494.260322
where:
bonds (distance) C4'-P energy: -100.539
bonds (distance) P-C4' energy: -91.851
flat angles C4'-P-C4' energy: -104.675
flat angles P-C4'-P energy: -79.152
tors. eta vs tors. theta energy: -118.043
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: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1641.829539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.829539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.829539 (E_RNA)
where:
Base-Base interactions energy: -1139.309
where: short stacking energy: -488.508
Base-Backbone interact. energy: -2.209
local terms energy: -500.311670
where:
bonds (distance) C4'-P energy: -84.907
bonds (distance) P-C4' energy: -79.751
flat angles C4'-P-C4' energy: -111.457
flat angles P-C4'-P energy: -72.519
tors. eta vs tors. theta energy: -151.678
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: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1550.880153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.880153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.880153 (E_RNA)
where:
Base-Base interactions energy: -1093.853
where: short stacking energy: -451.397
Base-Backbone interact. energy: -0.396
local terms energy: -456.631502
where:
bonds (distance) C4'-P energy: -87.339
bonds (distance) P-C4' energy: -97.411
flat angles C4'-P-C4' energy: -103.025
flat angles P-C4'-P energy: -55.697
tors. eta vs tors. theta energy: -113.159
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: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1426.912105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.912105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.912105 (E_RNA)
where:
Base-Base interactions energy: -975.101
where: short stacking energy: -416.468
Base-Backbone interact. energy: 0.190
local terms energy: -452.001136
where:
bonds (distance) C4'-P energy: -88.140
bonds (distance) P-C4' energy: -95.547
flat angles C4'-P-C4' energy: -95.857
flat angles P-C4'-P energy: -64.821
tors. eta vs tors. theta energy: -107.637
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: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1379.507700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.507700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.507700 (E_RNA)
where:
Base-Base interactions energy: -964.733
where: short stacking energy: -413.282
Base-Backbone interact. energy: -1.738
local terms energy: -413.036954
where:
bonds (distance) C4'-P energy: -76.190
bonds (distance) P-C4' energy: -72.814
flat angles C4'-P-C4' energy: -90.241
flat angles P-C4'-P energy: -67.929
tors. eta vs tors. theta energy: -105.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1246.470163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.470163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.470163 (E_RNA)
where:
Base-Base interactions energy: -837.710
where: short stacking energy: -357.801
Base-Backbone interact. energy: -1.890
local terms energy: -406.869659
where:
bonds (distance) C4'-P energy: -88.238
bonds (distance) P-C4' energy: -93.250
flat angles C4'-P-C4' energy: -94.361
flat angles P-C4'-P energy: -53.904
tors. eta vs tors. theta energy: -77.117
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: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -833.069378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.069378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.069378 (E_RNA)
where:
Base-Base interactions energy: -469.044
where: short stacking energy: -257.100
Base-Backbone interact. energy: 2.457
local terms energy: -366.482667
where:
bonds (distance) C4'-P energy: -82.177
bonds (distance) P-C4' energy: -97.405
flat angles C4'-P-C4' energy: -98.818
flat angles P-C4'-P energy: -51.920
tors. eta vs tors. theta energy: -36.163
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: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -550.087925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.087925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.087925 (E_RNA)
where:
Base-Base interactions energy: -268.060
where: short stacking energy: -174.292
Base-Backbone interact. energy: -1.591
local terms energy: -280.436643
where:
bonds (distance) C4'-P energy: -92.346
bonds (distance) P-C4' energy: -89.539
flat angles C4'-P-C4' energy: -59.279
flat angles P-C4'-P energy: -32.689
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1830.257525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.257525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.257525 (E_RNA)
where:
Base-Base interactions energy: -1291.992
where: short stacking energy: -527.668
Base-Backbone interact. energy: -2.103
local terms energy: -536.162774
where:
bonds (distance) C4'-P energy: -97.596
bonds (distance) P-C4' energy: -98.212
flat angles C4'-P-C4' energy: -116.109
flat angles P-C4'-P energy: -83.423
tors. eta vs tors. theta energy: -140.822
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: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1766.521885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.521885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.521885 (E_RNA)
where:
Base-Base interactions energy: -1217.738
where: short stacking energy: -512.971
Base-Backbone interact. energy: -2.605
local terms energy: -546.178888
where:
bonds (distance) C4'-P energy: -108.304
bonds (distance) P-C4' energy: -101.545
flat angles C4'-P-C4' energy: -108.799
flat angles P-C4'-P energy: -75.228
tors. eta vs tors. theta energy: -152.302
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: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1701.309618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.309618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.309618 (E_RNA)
where:
Base-Base interactions energy: -1196.289
where: short stacking energy: -471.892
Base-Backbone interact. energy: -3.143
local terms energy: -501.878046
where:
bonds (distance) C4'-P energy: -91.668
bonds (distance) P-C4' energy: -109.830
flat angles C4'-P-C4' energy: -102.265
flat angles P-C4'-P energy: -73.305
tors. eta vs tors. theta energy: -124.809
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: 1
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1613.385871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.385871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.385871 (E_RNA)
where:
Base-Base interactions energy: -1119.182
where: short stacking energy: -467.223
Base-Backbone interact. energy: -1.787
local terms energy: -492.416835
where:
bonds (distance) C4'-P energy: -97.936
bonds (distance) P-C4' energy: -98.052
flat angles C4'-P-C4' energy: -107.691
flat angles P-C4'-P energy: -62.590
tors. eta vs tors. theta energy: -126.147
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: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1575.972077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.972077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.972077 (E_RNA)
where:
Base-Base interactions energy: -1101.322
where: short stacking energy: -451.429
Base-Backbone interact. energy: -2.504
local terms energy: -472.146667
where:
bonds (distance) C4'-P energy: -92.572
bonds (distance) P-C4' energy: -92.627
flat angles C4'-P-C4' energy: -102.860
flat angles P-C4'-P energy: -61.979
tors. eta vs tors. theta energy: -122.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1437.002292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.002292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.002292 (E_RNA)
where:
Base-Base interactions energy: -981.920
where: short stacking energy: -415.590
Base-Backbone interact. energy: -1.409
local terms energy: -453.673351
where:
bonds (distance) C4'-P energy: -93.158
bonds (distance) P-C4' energy: -90.326
flat angles C4'-P-C4' energy: -100.574
flat angles P-C4'-P energy: -62.266
tors. eta vs tors. theta energy: -107.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1371.466295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.466295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.466295 (E_RNA)
where:
Base-Base interactions energy: -949.937
where: short stacking energy: -383.338
Base-Backbone interact. energy: -1.322
local terms energy: -420.207072
where:
bonds (distance) C4'-P energy: -74.752
bonds (distance) P-C4' energy: -83.574
flat angles C4'-P-C4' energy: -100.055
flat angles P-C4'-P energy: -61.891
tors. eta vs tors. theta energy: -99.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1229.404271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.404271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.404271 (E_RNA)
where:
Base-Base interactions energy: -850.745
where: short stacking energy: -359.979
Base-Backbone interact. energy: 3.633
local terms energy: -382.292560
where:
bonds (distance) C4'-P energy: -76.102
bonds (distance) P-C4' energy: -83.143
flat angles C4'-P-C4' energy: -94.221
flat angles P-C4'-P energy: -49.508
tors. eta vs tors. theta energy: -79.318
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: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -883.652773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.652773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.652773 (E_RNA)
where:
Base-Base interactions energy: -562.028
where: short stacking energy: -290.581
Base-Backbone interact. energy: -0.465
local terms energy: -321.159897
where:
bonds (distance) C4'-P energy: -76.485
bonds (distance) P-C4' energy: -81.210
flat angles C4'-P-C4' energy: -73.086
flat angles P-C4'-P energy: -46.858
tors. eta vs tors. theta energy: -43.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -552.909518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.909518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.909518 (E_RNA)
where:
Base-Base interactions energy: -261.134
where: short stacking energy: -159.626
Base-Backbone interact. energy: -2.503
local terms energy: -289.272580
where:
bonds (distance) C4'-P energy: -79.502
bonds (distance) P-C4' energy: -82.575
flat angles C4'-P-C4' energy: -87.076
flat angles P-C4'-P energy: -45.638
tors. eta vs tors. theta energy: 5.519
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: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1832.859979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.859979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.859979 (E_RNA)
where:
Base-Base interactions energy: -1296.425
where: short stacking energy: -519.864
Base-Backbone interact. energy: -0.908
local terms energy: -535.527038
where:
bonds (distance) C4'-P energy: -93.999
bonds (distance) P-C4' energy: -100.834
flat angles C4'-P-C4' energy: -116.324
flat angles P-C4'-P energy: -77.854
tors. eta vs tors. theta energy: -146.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1752.288724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.288724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.288724 (E_RNA)
where:
Base-Base interactions energy: -1224.323
where: short stacking energy: -511.866
Base-Backbone interact. energy: -2.264
local terms energy: -525.701807
where:
bonds (distance) C4'-P energy: -104.382
bonds (distance) P-C4' energy: -100.875
flat angles C4'-P-C4' energy: -106.686
flat angles P-C4'-P energy: -70.659
tors. eta vs tors. theta energy: -143.099
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: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1686.334275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.334275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.334275 (E_RNA)
where:
Base-Base interactions energy: -1170.504
where: short stacking energy: -460.432
Base-Backbone interact. energy: -3.229
local terms energy: -512.601031
where:
bonds (distance) C4'-P energy: -99.497
bonds (distance) P-C4' energy: -99.610
flat angles C4'-P-C4' energy: -110.690
flat angles P-C4'-P energy: -77.833
tors. eta vs tors. theta energy: -124.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1657.494050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.494050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.494050 (E_RNA)
where:
Base-Base interactions energy: -1147.161
where: short stacking energy: -496.291
Base-Backbone interact. energy: 0.480
local terms energy: -510.812937
where:
bonds (distance) C4'-P energy: -90.688
bonds (distance) P-C4' energy: -101.034
flat angles C4'-P-C4' energy: -107.678
flat angles P-C4'-P energy: -66.070
tors. eta vs tors. theta energy: -145.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1556.259545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.259545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.259545 (E_RNA)
where:
Base-Base interactions energy: -1095.091
where: short stacking energy: -455.200
Base-Backbone interact. energy: -5.410
local terms energy: -455.758473
where:
bonds (distance) C4'-P energy: -81.322
bonds (distance) P-C4' energy: -98.968
flat angles C4'-P-C4' energy: -96.805
flat angles P-C4'-P energy: -74.529
tors. eta vs tors. theta energy: -104.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1469.593535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.593535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.593535 (E_RNA)
where:
Base-Base interactions energy: -1008.556
where: short stacking energy: -403.476
Base-Backbone interact. energy: -2.085
local terms energy: -458.952755
where:
bonds (distance) C4'-P energy: -77.114
bonds (distance) P-C4' energy: -107.120
flat angles C4'-P-C4' energy: -95.366
flat angles P-C4'-P energy: -74.762
tors. eta vs tors. theta energy: -104.591
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: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1374.389464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.389464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.389464 (E_RNA)
where:
Base-Base interactions energy: -955.487
where: short stacking energy: -390.033
Base-Backbone interact. energy: -2.634
local terms energy: -416.268578
where:
bonds (distance) C4'-P energy: -82.297
bonds (distance) P-C4' energy: -92.726
flat angles C4'-P-C4' energy: -82.211
flat angles P-C4'-P energy: -63.796
tors. eta vs tors. theta energy: -95.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1241.633875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.633875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.633875 (E_RNA)
where:
Base-Base interactions energy: -837.869
where: short stacking energy: -355.931
Base-Backbone interact. energy: -2.099
local terms energy: -401.665754
where:
bonds (distance) C4'-P energy: -75.267
bonds (distance) P-C4' energy: -83.283
flat angles C4'-P-C4' energy: -105.682
flat angles P-C4'-P energy: -61.985
tors. eta vs tors. theta energy: -75.449
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: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -903.209766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.209766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.209766 (E_RNA)
where:
Base-Base interactions energy: -569.805
where: short stacking energy: -273.636
Base-Backbone interact. energy: -0.319
local terms energy: -333.085672
where:
bonds (distance) C4'-P energy: -88.587
bonds (distance) P-C4' energy: -80.570
flat angles C4'-P-C4' energy: -72.561
flat angles P-C4'-P energy: -43.402
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: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -511.937450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.937450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.937450 (E_RNA)
where:
Base-Base interactions energy: -262.618
where: short stacking energy: -170.317
Base-Backbone interact. energy: 1.027
local terms energy: -250.345866
where:
bonds (distance) C4'-P energy: -66.977
bonds (distance) P-C4' energy: -70.540
flat angles C4'-P-C4' energy: -82.455
flat angles P-C4'-P energy: -46.697
tors. eta vs tors. theta energy: 16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1846.952174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.952174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.952174 (E_RNA)
where:
Base-Base interactions energy: -1288.172
where: short stacking energy: -506.482
Base-Backbone interact. energy: -2.693
local terms energy: -556.087644
where:
bonds (distance) C4'-P energy: -101.861
bonds (distance) P-C4' energy: -112.840
flat angles C4'-P-C4' energy: -113.111
flat angles P-C4'-P energy: -80.799
tors. eta vs tors. theta energy: -147.477
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: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1752.200896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.200896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.200896 (E_RNA)
where:
Base-Base interactions energy: -1242.834
where: short stacking energy: -494.378
Base-Backbone interact. energy: -0.456
local terms energy: -508.910755
where:
bonds (distance) C4'-P energy: -89.669
bonds (distance) P-C4' energy: -110.794
flat angles C4'-P-C4' energy: -112.607
flat angles P-C4'-P energy: -71.956
tors. eta vs tors. theta energy: -123.885
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: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1730.503803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.503803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.503803 (E_RNA)
where:
Base-Base interactions energy: -1202.472
where: short stacking energy: -515.656
Base-Backbone interact. energy: -2.159
local terms energy: -525.871952
where:
bonds (distance) C4'-P energy: -108.160
bonds (distance) P-C4' energy: -101.806
flat angles C4'-P-C4' energy: -104.564
flat angles P-C4'-P energy: -67.385
tors. eta vs tors. theta energy: -143.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1620.171301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.171301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.171301 (E_RNA)
where:
Base-Base interactions energy: -1176.891
where: short stacking energy: -468.524
Base-Backbone interact. energy: -5.179
local terms energy: -438.101492
where:
bonds (distance) C4'-P energy: -91.178
bonds (distance) P-C4' energy: -81.539
flat angles C4'-P-C4' energy: -88.116
flat angles P-C4'-P energy: -65.459
tors. eta vs tors. theta energy: -111.809
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: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1559.235714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.235714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.235714 (E_RNA)
where:
Base-Base interactions energy: -1086.002
where: short stacking energy: -461.077
Base-Backbone interact. energy: -4.364
local terms energy: -468.869026
where:
bonds (distance) C4'-P energy: -92.849
bonds (distance) P-C4' energy: -85.659
flat angles C4'-P-C4' energy: -106.556
flat angles P-C4'-P energy: -54.063
tors. eta vs tors. theta energy: -129.743
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: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1473.801342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.801342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.801342 (E_RNA)
where:
Base-Base interactions energy: -1037.318
where: short stacking energy: -436.701
Base-Backbone interact. energy: -0.375
local terms energy: -436.108448
where:
bonds (distance) C4'-P energy: -92.864
bonds (distance) P-C4' energy: -74.717
flat angles C4'-P-C4' energy: -95.252
flat angles P-C4'-P energy: -64.355
tors. eta vs tors. theta energy: -108.920
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: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1398.455986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.455986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.455986 (E_RNA)
where:
Base-Base interactions energy: -987.963
where: short stacking energy: -387.215
Base-Backbone interact. energy: -3.061
local terms energy: -407.431399
where:
bonds (distance) C4'-P energy: -82.202
bonds (distance) P-C4' energy: -85.650
flat angles C4'-P-C4' energy: -87.891
flat angles P-C4'-P energy: -65.422
tors. eta vs tors. theta energy: -86.267
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: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1260.577410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.577410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.577410 (E_RNA)
where:
Base-Base interactions energy: -851.474
where: short stacking energy: -355.601
Base-Backbone interact. energy: -2.250
local terms energy: -406.853651
where:
bonds (distance) C4'-P energy: -68.869
bonds (distance) P-C4' energy: -83.170
flat angles C4'-P-C4' energy: -98.875
flat angles P-C4'-P energy: -68.651
tors. eta vs tors. theta energy: -87.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -865.098467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.098467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.098467 (E_RNA)
where:
Base-Base interactions energy: -505.449
where: short stacking energy: -268.742
Base-Backbone interact. energy: -1.088
local terms energy: -358.561233
where:
bonds (distance) C4'-P energy: -86.286
bonds (distance) P-C4' energy: -96.477
flat angles C4'-P-C4' energy: -82.383
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -48.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -517.604277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.604277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.604277 (E_RNA)
where:
Base-Base interactions energy: -230.001
where: short stacking energy: -175.790
Base-Backbone interact. energy: -1.068
local terms energy: -286.535623
where:
bonds (distance) C4'-P energy: -66.202
bonds (distance) P-C4' energy: -90.703
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -52.759
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1851.090248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.090248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.090248 (E_RNA)
where:
Base-Base interactions energy: -1305.063
where: short stacking energy: -535.010
Base-Backbone interact. energy: -3.187
local terms energy: -542.840438
where:
bonds (distance) C4'-P energy: -94.104
bonds (distance) P-C4' energy: -98.288
flat angles C4'-P-C4' energy: -123.040
flat angles P-C4'-P energy: -79.082
tors. eta vs tors. theta energy: -148.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1751.188044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.188044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.188044 (E_RNA)
where:
Base-Base interactions energy: -1237.486
where: short stacking energy: -505.547
Base-Backbone interact. energy: 0.743
local terms energy: -514.444884
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -98.295
flat angles C4'-P-C4' energy: -115.138
flat angles P-C4'-P energy: -76.632
tors. eta vs tors. theta energy: -136.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1702.935112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.935112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.935112 (E_RNA)
where:
Base-Base interactions energy: -1181.808
where: short stacking energy: -498.655
Base-Backbone interact. energy: 1.483
local terms energy: -522.610028
where:
bonds (distance) C4'-P energy: -92.890
bonds (distance) P-C4' energy: -97.759
flat angles C4'-P-C4' energy: -114.216
flat angles P-C4'-P energy: -81.649
tors. eta vs tors. theta energy: -136.095
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: 236
Temperature: 1.050000
Total energy: -1604.588373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.588373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.588373 (E_RNA)
where:
Base-Base interactions energy: -1138.645
where: short stacking energy: -439.759
Base-Backbone interact. energy: 0.527
local terms energy: -466.470163
where:
bonds (distance) C4'-P energy: -75.432
bonds (distance) P-C4' energy: -99.715
flat angles C4'-P-C4' energy: -105.824
flat angles P-C4'-P energy: -70.210
tors. eta vs tors. theta energy: -115.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1502.191151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.191151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.191151 (E_RNA)
where:
Base-Base interactions energy: -1027.544
where: short stacking energy: -416.764
Base-Backbone interact. energy: -0.581
local terms energy: -474.066525
where:
bonds (distance) C4'-P energy: -84.198
bonds (distance) P-C4' energy: -96.905
flat angles C4'-P-C4' energy: -116.294
flat angles P-C4'-P energy: -72.056
tors. eta vs tors. theta energy: -104.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1538.188398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.188398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.188398 (E_RNA)
where:
Base-Base interactions energy: -1064.880
where: short stacking energy: -423.146
Base-Backbone interact. energy: -0.158
local terms energy: -473.150292
where:
bonds (distance) C4'-P energy: -85.960
bonds (distance) P-C4' energy: -94.808
flat angles C4'-P-C4' energy: -90.580
flat angles P-C4'-P energy: -70.618
tors. eta vs tors. theta energy: -131.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1375.348944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.348944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.348944 (E_RNA)
where:
Base-Base interactions energy: -953.975
where: short stacking energy: -392.197
Base-Backbone interact. energy: 0.820
local terms energy: -422.193621
where:
bonds (distance) C4'-P energy: -91.654
bonds (distance) P-C4' energy: -94.566
flat angles C4'-P-C4' energy: -97.976
flat angles P-C4'-P energy: -43.024
tors. eta vs tors. theta energy: -94.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1214.726898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.726898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.726898 (E_RNA)
where:
Base-Base interactions energy: -798.147
where: short stacking energy: -350.714
Base-Backbone interact. energy: -1.946
local terms energy: -414.633739
where:
bonds (distance) C4'-P energy: -84.355
bonds (distance) P-C4' energy: -88.638
flat angles C4'-P-C4' energy: -90.160
flat angles P-C4'-P energy: -61.203
tors. eta vs tors. theta energy: -90.276
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: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -837.124180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.124180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.124180 (E_RNA)
where:
Base-Base interactions energy: -530.035
where: short stacking energy: -245.038
Base-Backbone interact. energy: -0.369
local terms energy: -306.720154
where:
bonds (distance) C4'-P energy: -76.297
bonds (distance) P-C4' energy: -65.243
flat angles C4'-P-C4' energy: -72.171
flat angles P-C4'-P energy: -60.813
tors. eta vs tors. theta energy: -32.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -550.315876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.315876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.315876 (E_RNA)
where:
Base-Base interactions energy: -259.291
where: short stacking energy: -170.123
Base-Backbone interact. energy: 3.249
local terms energy: -294.274136
where:
bonds (distance) C4'-P energy: -86.703
bonds (distance) P-C4' energy: -92.518
flat angles C4'-P-C4' energy: -63.889
flat angles P-C4'-P energy: -41.411
tors. eta vs tors. theta energy: -9.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1843.371214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.371214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.371214 (E_RNA)
where:
Base-Base interactions energy: -1297.490
where: short stacking energy: -525.081
Base-Backbone interact. energy: -5.414
local terms energy: -540.467574
where:
bonds (distance) C4'-P energy: -90.202
bonds (distance) P-C4' energy: -101.572
flat angles C4'-P-C4' energy: -127.247
flat angles P-C4'-P energy: -74.023
tors. eta vs tors. theta energy: -147.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1778.638209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.638209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.638209 (E_RNA)
where:
Base-Base interactions energy: -1250.690
where: short stacking energy: -497.564
Base-Backbone interact. energy: -2.286
local terms energy: -525.662682
where:
bonds (distance) C4'-P energy: -100.208
bonds (distance) P-C4' energy: -105.409
flat angles C4'-P-C4' energy: -120.419
flat angles P-C4'-P energy: -66.789
tors. eta vs tors. theta energy: -132.838
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: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1675.642993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.642993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.642993 (E_RNA)
where:
Base-Base interactions energy: -1163.894
where: short stacking energy: -482.674
Base-Backbone interact. energy: 0.042
local terms energy: -511.791020
where:
bonds (distance) C4'-P energy: -96.129
bonds (distance) P-C4' energy: -97.355
flat angles C4'-P-C4' energy: -109.681
flat angles P-C4'-P energy: -69.913
tors. eta vs tors. theta energy: -138.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1628.117115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.117115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.117115 (E_RNA)
where:
Base-Base interactions energy: -1133.819
where: short stacking energy: -449.473
Base-Backbone interact. energy: -1.288
local terms energy: -493.010515
where:
bonds (distance) C4'-P energy: -99.667
bonds (distance) P-C4' energy: -109.073
flat angles C4'-P-C4' energy: -104.457
flat angles P-C4'-P energy: -61.694
tors. eta vs tors. theta energy: -118.120
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: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1500.988432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.988432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.988432 (E_RNA)
where:
Base-Base interactions energy: -1055.122
where: short stacking energy: -411.022
Base-Backbone interact. energy: 1.014
local terms energy: -446.880511
where:
bonds (distance) C4'-P energy: -85.978
bonds (distance) P-C4' energy: -86.894
flat angles C4'-P-C4' energy: -101.294
flat angles P-C4'-P energy: -71.306
tors. eta vs tors. theta energy: -101.408
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: 6, replica: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1507.175597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.175597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.175597 (E_RNA)
where:
Base-Base interactions energy: -1052.779
where: short stacking energy: -414.262
Base-Backbone interact. energy: 1.546
local terms energy: -455.942394
where:
bonds (distance) C4'-P energy: -84.391
bonds (distance) P-C4' energy: -91.508
flat angles C4'-P-C4' energy: -100.827
flat angles P-C4'-P energy: -64.255
tors. eta vs tors. theta energy: -114.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1351.966433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.966433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.966433 (E_RNA)
where:
Base-Base interactions energy: -930.351
where: short stacking energy: -373.655
Base-Backbone interact. energy: -3.254
local terms energy: -418.361217
where:
bonds (distance) C4'-P energy: -71.658
bonds (distance) P-C4' energy: -108.071
flat angles C4'-P-C4' energy: -93.920
flat angles P-C4'-P energy: -59.986
tors. eta vs tors. theta energy: -84.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1185.614181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.614181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.614181 (E_RNA)
where:
Base-Base interactions energy: -768.605
where: short stacking energy: -350.832
Base-Backbone interact. energy: -2.456
local terms energy: -414.553140
where:
bonds (distance) C4'-P energy: -80.712
bonds (distance) P-C4' energy: -95.893
flat angles C4'-P-C4' energy: -98.526
flat angles P-C4'-P energy: -61.130
tors. eta vs tors. theta energy: -78.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -856.566278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.566278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.566278 (E_RNA)
where:
Base-Base interactions energy: -530.915
where: short stacking energy: -263.319
Base-Backbone interact. energy: 1.287
local terms energy: -326.938455
where:
bonds (distance) C4'-P energy: -73.979
bonds (distance) P-C4' energy: -78.985
flat angles C4'-P-C4' energy: -84.184
flat angles P-C4'-P energy: -45.488
tors. eta vs tors. theta energy: -44.303
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: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -544.049539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.049539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.049539 (E_RNA)
where:
Base-Base interactions energy: -234.281
where: short stacking energy: -142.215
Base-Backbone interact. energy: -1.156
local terms energy: -308.612657
where:
bonds (distance) C4'-P energy: -107.138
bonds (distance) P-C4' energy: -84.576
flat angles C4'-P-C4' energy: -56.650
flat angles P-C4'-P energy: -49.201
tors. eta vs tors. theta energy: -11.048
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: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1878.319101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.319101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.319101 (E_RNA)
where:
Base-Base interactions energy: -1329.399
where: short stacking energy: -538.533
Base-Backbone interact. energy: -5.735
local terms energy: -543.185724
where:
bonds (distance) C4'-P energy: -93.967
bonds (distance) P-C4' energy: -111.710
flat angles C4'-P-C4' energy: -119.385
flat angles P-C4'-P energy: -77.693
tors. eta vs tors. theta energy: -140.431
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: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1765.962186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.962186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.962186 (E_RNA)
where:
Base-Base interactions energy: -1234.164
where: short stacking energy: -524.706
Base-Backbone interact. energy: -4.682
local terms energy: -527.116445
where:
bonds (distance) C4'-P energy: -100.522
bonds (distance) P-C4' energy: -97.920
flat angles C4'-P-C4' energy: -108.925
flat angles P-C4'-P energy: -78.892
tors. eta vs tors. theta energy: -140.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1694.903929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.903929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.903929 (E_RNA)
where:
Base-Base interactions energy: -1178.866
where: short stacking energy: -482.121
Base-Backbone interact. energy: 0.283
local terms energy: -516.320519
where:
bonds (distance) C4'-P energy: -91.740
bonds (distance) P-C4' energy: -96.291
flat angles C4'-P-C4' energy: -124.701
flat angles P-C4'-P energy: -72.740
tors. eta vs tors. theta energy: -130.848
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: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1650.981450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.981450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.981450 (E_RNA)
where:
Base-Base interactions energy: -1148.316
where: short stacking energy: -445.113
Base-Backbone interact. energy: 0.618
local terms energy: -503.283030
where:
bonds (distance) C4'-P energy: -91.941
bonds (distance) P-C4' energy: -106.810
flat angles C4'-P-C4' energy: -105.498
flat angles P-C4'-P energy: -80.895
tors. eta vs tors. theta energy: -118.138
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: 238
Temperature: 1.100000
Total energy: -1546.692726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.692726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.692726 (E_RNA)
where:
Base-Base interactions energy: -1073.499
where: short stacking energy: -445.292
Base-Backbone interact. energy: -0.709
local terms energy: -472.484846
where:
bonds (distance) C4'-P energy: -81.244
bonds (distance) P-C4' energy: -98.417
flat angles C4'-P-C4' energy: -99.730
flat angles P-C4'-P energy: -65.499
tors. eta vs tors. theta energy: -127.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1488.657908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.657908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.657908 (E_RNA)
where:
Base-Base interactions energy: -1024.018
where: short stacking energy: -410.902
Base-Backbone interact. energy: -3.755
local terms energy: -460.884398
where:
bonds (distance) C4'-P energy: -104.564
bonds (distance) P-C4' energy: -85.666
flat angles C4'-P-C4' energy: -108.612
flat angles P-C4'-P energy: -67.839
tors. eta vs tors. theta energy: -94.203
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: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1387.457180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.457180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.457180 (E_RNA)
where:
Base-Base interactions energy: -976.567
where: short stacking energy: -411.589
Base-Backbone interact. energy: -1.317
local terms energy: -409.573956
where:
bonds (distance) C4'-P energy: -87.375
bonds (distance) P-C4' energy: -76.924
flat angles C4'-P-C4' energy: -89.985
flat angles P-C4'-P energy: -55.818
tors. eta vs tors. theta energy: -99.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1168.658680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.658680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.658680 (E_RNA)
where:
Base-Base interactions energy: -758.592
where: short stacking energy: -329.632
Base-Backbone interact. energy: -1.850
local terms energy: -408.216233
where:
bonds (distance) C4'-P energy: -74.393
bonds (distance) P-C4' energy: -95.174
flat angles C4'-P-C4' energy: -102.868
flat angles P-C4'-P energy: -55.598
tors. eta vs tors. theta energy: -80.183
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: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -836.283200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.283200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.283200 (E_RNA)
where:
Base-Base interactions energy: -514.527
where: short stacking energy: -251.087
Base-Backbone interact. energy: -1.256
local terms energy: -320.499351
where:
bonds (distance) C4'-P energy: -79.335
bonds (distance) P-C4' energy: -79.425
flat angles C4'-P-C4' energy: -72.097
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -48.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -543.214901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.214901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.214901 (E_RNA)
where:
Base-Base interactions energy: -261.224
where: short stacking energy: -149.494
Base-Backbone interact. energy: -1.608
local terms energy: -280.382429
where:
bonds (distance) C4'-P energy: -73.630
bonds (distance) P-C4' energy: -88.291
flat angles C4'-P-C4' energy: -82.961
flat angles P-C4'-P energy: -41.336
tors. eta vs tors. theta energy: 5.836
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: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1844.002457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.002457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.002457 (E_RNA)
where:
Base-Base interactions energy: -1293.849
where: short stacking energy: -535.664
Base-Backbone interact. energy: -7.117
local terms energy: -543.037084
where:
bonds (distance) C4'-P energy: -92.189
bonds (distance) P-C4' energy: -98.427
flat angles C4'-P-C4' energy: -119.045
flat angles P-C4'-P energy: -81.276
tors. eta vs tors. theta energy: -152.099
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: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1735.087022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.087022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.087022 (E_RNA)
where:
Base-Base interactions energy: -1222.823
where: short stacking energy: -498.614
Base-Backbone interact. energy: -3.140
local terms energy: -509.123414
where:
bonds (distance) C4'-P energy: -100.253
bonds (distance) P-C4' energy: -87.869
flat angles C4'-P-C4' energy: -107.979
flat angles P-C4'-P energy: -79.679
tors. eta vs tors. theta energy: -133.343
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: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1670.410391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.410391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.410391 (E_RNA)
where:
Base-Base interactions energy: -1159.449
where: short stacking energy: -473.881
Base-Backbone interact. energy: -1.218
local terms energy: -509.743098
where:
bonds (distance) C4'-P energy: -93.149
bonds (distance) P-C4' energy: -99.778
flat angles C4'-P-C4' energy: -110.344
flat angles P-C4'-P energy: -78.916
tors. eta vs tors. theta energy: -127.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1609.256809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.256809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.256809 (E_RNA)
where:
Base-Base interactions energy: -1118.876
where: short stacking energy: -471.144
Base-Backbone interact. energy: -2.721
local terms energy: -487.659724
where:
bonds (distance) C4'-P energy: -85.553
bonds (distance) P-C4' energy: -101.278
flat angles C4'-P-C4' energy: -119.982
flat angles P-C4'-P energy: -62.505
tors. eta vs tors. theta energy: -118.342
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: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1558.470360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.470360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.470360 (E_RNA)
where:
Base-Base interactions energy: -1065.456
where: short stacking energy: -446.556
Base-Backbone interact. energy: -4.303
local terms energy: -488.711789
where:
bonds (distance) C4'-P energy: -86.793
bonds (distance) P-C4' energy: -101.180
flat angles C4'-P-C4' energy: -103.366
flat angles P-C4'-P energy: -61.807
tors. eta vs tors. theta energy: -135.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1485.220182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.220182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.220182 (E_RNA)
where:
Base-Base interactions energy: -1021.573
where: short stacking energy: -423.393
Base-Backbone interact. energy: -1.786
local terms energy: -461.860920
where:
bonds (distance) C4'-P energy: -87.311
bonds (distance) P-C4' energy: -92.216
flat angles C4'-P-C4' energy: -109.985
flat angles P-C4'-P energy: -65.877
tors. eta vs tors. theta energy: -106.471
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: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1348.185977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.185977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.185977 (E_RNA)
where:
Base-Base interactions energy: -964.992
where: short stacking energy: -393.362
Base-Backbone interact. energy: -1.284
local terms energy: -381.909438
where:
bonds (distance) C4'-P energy: -75.831
bonds (distance) P-C4' energy: -64.499
flat angles C4'-P-C4' energy: -91.673
flat angles P-C4'-P energy: -57.190
tors. eta vs tors. theta energy: -92.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1151.136076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.136076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.136076 (E_RNA)
where:
Base-Base interactions energy: -756.692
where: short stacking energy: -340.424
Base-Backbone interact. energy: -0.588
local terms energy: -393.856384
where:
bonds (distance) C4'-P energy: -76.952
bonds (distance) P-C4' energy: -89.640
flat angles C4'-P-C4' energy: -85.797
flat angles P-C4'-P energy: -69.247
tors. eta vs tors. theta energy: -72.221
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: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -858.123431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.123431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.123431 (E_RNA)
where:
Base-Base interactions energy: -529.120
where: short stacking energy: -244.199
Base-Backbone interact. energy: -1.426
local terms energy: -327.577445
where:
bonds (distance) C4'-P energy: -75.759
bonds (distance) P-C4' energy: -84.428
flat angles C4'-P-C4' energy: -79.993
flat angles P-C4'-P energy: -48.269
tors. eta vs tors. theta energy: -39.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -541.849902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.849902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.849902 (E_RNA)
where:
Base-Base interactions energy: -286.885
where: short stacking energy: -170.866
Base-Backbone interact. energy: 2.896
local terms energy: -257.860162
where:
bonds (distance) C4'-P energy: -58.549
bonds (distance) P-C4' energy: -93.238
flat angles C4'-P-C4' energy: -78.871
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: 6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1852.327033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.327033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.327033 (E_RNA)
where:
Base-Base interactions energy: -1310.909
where: short stacking energy: -539.149
Base-Backbone interact. energy: 0.585
local terms energy: -542.002616
where:
bonds (distance) C4'-P energy: -95.825
bonds (distance) P-C4' energy: -112.300
flat angles C4'-P-C4' energy: -110.726
flat angles P-C4'-P energy: -76.010
tors. eta vs tors. theta energy: -147.141
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: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1739.919025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.919025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.919025 (E_RNA)
where:
Base-Base interactions energy: -1221.880
where: short stacking energy: -502.077
Base-Backbone interact. energy: -4.537
local terms energy: -513.502583
where:
bonds (distance) C4'-P energy: -100.148
bonds (distance) P-C4' energy: -94.744
flat angles C4'-P-C4' energy: -113.865
flat angles P-C4'-P energy: -73.920
tors. eta vs tors. theta energy: -130.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1705.201927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.201927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.201927 (E_RNA)
where:
Base-Base interactions energy: -1189.028
where: short stacking energy: -467.673
Base-Backbone interact. energy: -2.508
local terms energy: -513.666395
where:
bonds (distance) C4'-P energy: -95.474
bonds (distance) P-C4' energy: -105.143
flat angles C4'-P-C4' energy: -106.508
flat angles P-C4'-P energy: -73.015
tors. eta vs tors. theta energy: -133.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1613.646900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.646900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.646900 (E_RNA)
where:
Base-Base interactions energy: -1142.816
where: short stacking energy: -469.618
Base-Backbone interact. energy: -1.145
local terms energy: -469.685948
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -82.247
flat angles C4'-P-C4' energy: -110.470
flat angles P-C4'-P energy: -65.935
tors. eta vs tors. theta energy: -128.650
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: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1519.674600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.674600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.674600 (E_RNA)
where:
Base-Base interactions energy: -1042.358
where: short stacking energy: -448.308
Base-Backbone interact. energy: 2.067
local terms energy: -479.383033
where:
bonds (distance) C4'-P energy: -87.589
bonds (distance) P-C4' energy: -101.658
flat angles C4'-P-C4' energy: -98.522
flat angles P-C4'-P energy: -78.262
tors. eta vs tors. theta energy: -113.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1444.044126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.044126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.044126 (E_RNA)
where:
Base-Base interactions energy: -1004.019
where: short stacking energy: -406.765
Base-Backbone interact. energy: -2.987
local terms energy: -437.037976
where:
bonds (distance) C4'-P energy: -80.905
bonds (distance) P-C4' energy: -108.918
flat angles C4'-P-C4' energy: -92.147
flat angles P-C4'-P energy: -65.590
tors. eta vs tors. theta energy: -89.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1365.703660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.703660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.703660 (E_RNA)
where:
Base-Base interactions energy: -941.829
where: short stacking energy: -373.592
Base-Backbone interact. energy: -2.823
local terms energy: -421.050916
where:
bonds (distance) C4'-P energy: -87.833
bonds (distance) P-C4' energy: -101.049
flat angles C4'-P-C4' energy: -84.951
flat angles P-C4'-P energy: -56.269
tors. eta vs tors. theta energy: -90.949
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: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1173.159842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.159842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.159842 (E_RNA)
where:
Base-Base interactions energy: -791.264
where: short stacking energy: -337.798
Base-Backbone interact. energy: 3.748
local terms energy: -385.643349
where:
bonds (distance) C4'-P energy: -79.338
bonds (distance) P-C4' energy: -87.428
flat angles C4'-P-C4' energy: -93.129
flat angles P-C4'-P energy: -44.899
tors. eta vs tors. theta energy: -80.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -866.415993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.415993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.415993 (E_RNA)
where:
Base-Base interactions energy: -517.930
where: short stacking energy: -246.921
Base-Backbone interact. energy: 0.216
local terms energy: -348.701945
where:
bonds (distance) C4'-P energy: -93.923
bonds (distance) P-C4' energy: -90.440
flat angles C4'-P-C4' energy: -82.366
flat angles P-C4'-P energy: -37.723
tors. eta vs tors. theta energy: -44.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -526.614885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.614885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.614885 (E_RNA)
where:
Base-Base interactions energy: -248.235
where: short stacking energy: -136.145
Base-Backbone interact. energy: -0.819
local terms energy: -277.561195
where:
bonds (distance) C4'-P energy: -77.779
bonds (distance) P-C4' energy: -86.852
flat angles C4'-P-C4' energy: -63.631
flat angles P-C4'-P energy: -42.081
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1832.945289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.945289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.945289 (E_RNA)
where:
Base-Base interactions energy: -1290.809
where: short stacking energy: -516.029
Base-Backbone interact. energy: -0.558
local terms energy: -541.578648
where:
bonds (distance) C4'-P energy: -101.450
bonds (distance) P-C4' energy: -103.123
flat angles C4'-P-C4' energy: -110.579
flat angles P-C4'-P energy: -75.535
tors. eta vs tors. theta energy: -150.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1754.456213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.456213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.456213 (E_RNA)
where:
Base-Base interactions energy: -1250.141
where: short stacking energy: -506.675
Base-Backbone interact. energy: -1.862
local terms energy: -502.453280
where:
bonds (distance) C4'-P energy: -83.456
bonds (distance) P-C4' energy: -85.822
flat angles C4'-P-C4' energy: -105.561
flat angles P-C4'-P energy: -83.303
tors. eta vs tors. theta energy: -144.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1697.213487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.213487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.213487 (E_RNA)
where:
Base-Base interactions energy: -1174.099
where: short stacking energy: -467.385
Base-Backbone interact. energy: -1.885
local terms energy: -521.229835
where:
bonds (distance) C4'-P energy: -105.717
bonds (distance) P-C4' energy: -107.537
flat angles C4'-P-C4' energy: -117.743
flat angles P-C4'-P energy: -68.937
tors. eta vs tors. theta energy: -121.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1662.478555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.478555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.478555 (E_RNA)
where:
Base-Base interactions energy: -1149.934
where: short stacking energy: -499.974
Base-Backbone interact. energy: -1.992
local terms energy: -510.552737
where:
bonds (distance) C4'-P energy: -97.458
bonds (distance) P-C4' energy: -107.165
flat angles C4'-P-C4' energy: -104.011
flat angles P-C4'-P energy: -62.098
tors. eta vs tors. theta energy: -139.820
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: 241
Temperature: 1.100000
Total energy: -1503.481489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.481489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.481489 (E_RNA)
where:
Base-Base interactions energy: -1034.438
where: short stacking energy: -419.209
Base-Backbone interact. energy: -0.504
local terms energy: -468.538726
where:
bonds (distance) C4'-P energy: -100.164
bonds (distance) P-C4' energy: -100.965
flat angles C4'-P-C4' energy: -101.229
flat angles P-C4'-P energy: -56.918
tors. eta vs tors. theta energy: -109.263
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: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1501.280580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.280580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.280580 (E_RNA)
where:
Base-Base interactions energy: -1025.549
where: short stacking energy: -410.727
Base-Backbone interact. energy: -3.661
local terms energy: -472.070441
where:
bonds (distance) C4'-P energy: -86.320
bonds (distance) P-C4' energy: -97.580
flat angles C4'-P-C4' energy: -103.827
flat angles P-C4'-P energy: -66.032
tors. eta vs tors. theta energy: -118.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1306.237324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.237324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.237324 (E_RNA)
where:
Base-Base interactions energy: -899.075
where: short stacking energy: -380.865
Base-Backbone interact. energy: -1.065
local terms energy: -406.097300
where:
bonds (distance) C4'-P energy: -89.736
bonds (distance) P-C4' energy: -74.347
flat angles C4'-P-C4' energy: -89.733
flat angles P-C4'-P energy: -61.751
tors. eta vs tors. theta energy: -90.530
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: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1162.893148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.893148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.893148 (E_RNA)
where:
Base-Base interactions energy: -772.913
where: short stacking energy: -337.571
Base-Backbone interact. energy: -4.474
local terms energy: -385.505921
where:
bonds (distance) C4'-P energy: -82.738
bonds (distance) P-C4' energy: -81.599
flat angles C4'-P-C4' energy: -90.694
flat angles P-C4'-P energy: -50.088
tors. eta vs tors. theta energy: -80.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -840.237128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.237128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.237128 (E_RNA)
where:
Base-Base interactions energy: -470.490
where: short stacking energy: -223.837
Base-Backbone interact. energy: 0.210
local terms energy: -369.957324
where:
bonds (distance) C4'-P energy: -94.196
bonds (distance) P-C4' energy: -102.728
flat angles C4'-P-C4' energy: -91.750
flat angles P-C4'-P energy: -50.640
tors. eta vs tors. theta energy: -30.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -548.897845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.897845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.897845 (E_RNA)
where:
Base-Base interactions energy: -268.429
where: short stacking energy: -163.949
Base-Backbone interact. energy: 5.039
local terms energy: -285.507636
where:
bonds (distance) C4'-P energy: -84.059
bonds (distance) P-C4' energy: -85.156
flat angles C4'-P-C4' energy: -76.249
flat angles P-C4'-P energy: -32.437
tors. eta vs tors. theta energy: -7.607
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: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1858.971115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.971115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.971115 (E_RNA)
where:
Base-Base interactions energy: -1327.352
where: short stacking energy: -523.591
Base-Backbone interact. energy: -4.901
local terms energy: -526.717922
where:
bonds (distance) C4'-P energy: -91.053
bonds (distance) P-C4' energy: -103.170
flat angles C4'-P-C4' energy: -108.680
flat angles P-C4'-P energy: -74.941
tors. eta vs tors. theta energy: -148.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1777.770251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.770251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.770251 (E_RNA)
where:
Base-Base interactions energy: -1235.403
where: short stacking energy: -523.325
Base-Backbone interact. energy: -1.894
local terms energy: -540.473643
where:
bonds (distance) C4'-P energy: -95.579
bonds (distance) P-C4' energy: -108.960
flat angles C4'-P-C4' energy: -117.906
flat angles P-C4'-P energy: -71.514
tors. eta vs tors. theta energy: -146.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1693.437506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.437506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.437506 (E_RNA)
where:
Base-Base interactions energy: -1183.027
where: short stacking energy: -499.071
Base-Backbone interact. energy: -1.465
local terms energy: -508.945341
where:
bonds (distance) C4'-P energy: -91.900
bonds (distance) P-C4' energy: -102.847
flat angles C4'-P-C4' energy: -103.009
flat angles P-C4'-P energy: -75.814
tors. eta vs tors. theta energy: -135.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1623.520540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.520540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.520540 (E_RNA)
where:
Base-Base interactions energy: -1151.724
where: short stacking energy: -450.623
Base-Backbone interact. energy: 2.138
local terms energy: -473.934444
where:
bonds (distance) C4'-P energy: -86.322
bonds (distance) P-C4' energy: -92.606
flat angles C4'-P-C4' energy: -114.657
flat angles P-C4'-P energy: -72.966
tors. eta vs tors. theta energy: -107.383
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: 242
Temperature: 1.100000
Total energy: -1504.635636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.635636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.635636 (E_RNA)
where:
Base-Base interactions energy: -1032.591
where: short stacking energy: -431.598
Base-Backbone interact. energy: -1.026
local terms energy: -471.018012
where:
bonds (distance) C4'-P energy: -91.609
bonds (distance) P-C4' energy: -90.820
flat angles C4'-P-C4' energy: -106.947
flat angles P-C4'-P energy: -64.431
tors. eta vs tors. theta energy: -117.210
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: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1414.714266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.714266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.714266 (E_RNA)
where:
Base-Base interactions energy: -958.897
where: short stacking energy: -392.379
Base-Backbone interact. energy: -0.358
local terms energy: -455.459613
where:
bonds (distance) C4'-P energy: -87.328
bonds (distance) P-C4' energy: -97.028
flat angles C4'-P-C4' energy: -96.544
flat angles P-C4'-P energy: -75.920
tors. eta vs tors. theta energy: -98.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1363.982773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.982773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.982773 (E_RNA)
where:
Base-Base interactions energy: -946.042
where: short stacking energy: -374.376
Base-Backbone interact. energy: 0.988
local terms energy: -418.928449
where:
bonds (distance) C4'-P energy: -83.549
bonds (distance) P-C4' energy: -88.875
flat angles C4'-P-C4' energy: -93.829
flat angles P-C4'-P energy: -51.023
tors. eta vs tors. theta energy: -101.652
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: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1139.898802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.898802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.898802 (E_RNA)
where:
Base-Base interactions energy: -756.641
where: short stacking energy: -338.541
Base-Backbone interact. energy: 2.226
local terms energy: -385.484121
where:
bonds (distance) C4'-P energy: -86.823
bonds (distance) P-C4' energy: -76.492
flat angles C4'-P-C4' energy: -88.533
flat angles P-C4'-P energy: -54.613
tors. eta vs tors. theta energy: -79.023
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: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -824.180789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.180789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.180789 (E_RNA)
where:
Base-Base interactions energy: -492.779
where: short stacking energy: -241.753
Base-Backbone interact. energy: -1.979
local terms energy: -329.422387
where:
bonds (distance) C4'-P energy: -80.411
bonds (distance) P-C4' energy: -82.527
flat angles C4'-P-C4' energy: -90.220
flat angles P-C4'-P energy: -31.535
tors. eta vs tors. theta energy: -44.730
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: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -624.644103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.644103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.644103 (E_RNA)
where:
Base-Base interactions energy: -349.848
where: short stacking energy: -183.147
Base-Backbone interact. energy: -0.137
local terms energy: -274.658924
where:
bonds (distance) C4'-P energy: -74.139
bonds (distance) P-C4' energy: -92.317
flat angles C4'-P-C4' energy: -73.817
flat angles P-C4'-P energy: -45.415
tors. eta vs tors. theta energy: 11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1850.130181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.130181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.130181 (E_RNA)
where:
Base-Base interactions energy: -1308.835
where: short stacking energy: -527.540
Base-Backbone interact. energy: -1.674
local terms energy: -539.621249
where:
bonds (distance) C4'-P energy: -93.275
bonds (distance) P-C4' energy: -105.931
flat angles C4'-P-C4' energy: -118.003
flat angles P-C4'-P energy: -73.622
tors. eta vs tors. theta energy: -148.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1768.373504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.373504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.373504 (E_RNA)
where:
Base-Base interactions energy: -1251.029
where: short stacking energy: -519.993
Base-Backbone interact. energy: -1.240
local terms energy: -516.104819
where:
bonds (distance) C4'-P energy: -89.798
bonds (distance) P-C4' energy: -102.468
flat angles C4'-P-C4' energy: -118.110
flat angles P-C4'-P energy: -68.530
tors. eta vs tors. theta energy: -137.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1688.691081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.691081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.691081 (E_RNA)
where:
Base-Base interactions energy: -1177.786
where: short stacking energy: -498.074
Base-Backbone interact. energy: -1.390
local terms energy: -509.514952
where:
bonds (distance) C4'-P energy: -93.114
bonds (distance) P-C4' energy: -111.670
flat angles C4'-P-C4' energy: -106.079
flat angles P-C4'-P energy: -67.590
tors. eta vs tors. theta energy: -131.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1616.481974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.481974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.481974 (E_RNA)
where:
Base-Base interactions energy: -1145.345
where: short stacking energy: -471.420
Base-Backbone interact. energy: 4.261
local terms energy: -475.398141
where:
bonds (distance) C4'-P energy: -86.986
bonds (distance) P-C4' energy: -102.975
flat angles C4'-P-C4' energy: -99.189
flat angles P-C4'-P energy: -60.481
tors. eta vs tors. theta energy: -125.767
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: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1498.778908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.778908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.778908 (E_RNA)
where:
Base-Base interactions energy: -1012.874
where: short stacking energy: -427.257
Base-Backbone interact. energy: -2.732
local terms energy: -483.172606
where:
bonds (distance) C4'-P energy: -104.104
bonds (distance) P-C4' energy: -88.942
flat angles C4'-P-C4' energy: -107.234
flat angles P-C4'-P energy: -77.467
tors. eta vs tors. theta energy: -105.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1493.449513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.449513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.449513 (E_RNA)
where:
Base-Base interactions energy: -1021.890
where: short stacking energy: -446.974
Base-Backbone interact. energy: -2.595
local terms energy: -468.965220
where:
bonds (distance) C4'-P energy: -92.987
bonds (distance) P-C4' energy: -85.668
flat angles C4'-P-C4' energy: -93.593
flat angles P-C4'-P energy: -75.457
tors. eta vs tors. theta energy: -121.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1486.085553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.085553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.085553 (E_RNA)
where:
Base-Base interactions energy: -1014.434
where: short stacking energy: -400.291
Base-Backbone interact. energy: 1.438
local terms energy: -473.090258
where:
bonds (distance) C4'-P energy: -98.582
bonds (distance) P-C4' energy: -84.830
flat angles C4'-P-C4' energy: -107.388
flat angles P-C4'-P energy: -63.406
tors. eta vs tors. theta energy: -118.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1091.293602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.293602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.293602 (E_RNA)
where:
Base-Base interactions energy: -714.260
where: short stacking energy: -327.892
Base-Backbone interact. energy: -1.203
local terms energy: -375.830601
where:
bonds (distance) C4'-P energy: -85.785
bonds (distance) P-C4' energy: -98.534
flat angles C4'-P-C4' energy: -72.209
flat angles P-C4'-P energy: -54.704
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: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -848.780506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.780506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.780506 (E_RNA)
where:
Base-Base interactions energy: -539.198
where: short stacking energy: -220.785
Base-Backbone interact. energy: -1.354
local terms energy: -308.228600
where:
bonds (distance) C4'-P energy: -73.278
bonds (distance) P-C4' energy: -82.527
flat angles C4'-P-C4' energy: -85.137
flat angles P-C4'-P energy: -46.313
tors. eta vs tors. theta energy: -20.974
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: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -649.810552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.810552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.810552 (E_RNA)
where:
Base-Base interactions energy: -344.538
where: short stacking energy: -185.029
Base-Backbone interact. energy: -2.576
local terms energy: -302.696425
where:
bonds (distance) C4'-P energy: -86.900
bonds (distance) P-C4' energy: -87.365
flat angles C4'-P-C4' energy: -78.469
flat angles P-C4'-P energy: -36.553
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1853.436459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.436459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.436459 (E_RNA)
where:
Base-Base interactions energy: -1316.635
where: short stacking energy: -532.627
Base-Backbone interact. energy: -1.770
local terms energy: -535.031039
where:
bonds (distance) C4'-P energy: -100.480
bonds (distance) P-C4' energy: -101.255
flat angles C4'-P-C4' energy: -115.077
flat angles P-C4'-P energy: -71.992
tors. eta vs tors. theta energy: -146.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1782.863478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.863478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.863478 (E_RNA)
where:
Base-Base interactions energy: -1248.266
where: short stacking energy: -513.842
Base-Backbone interact. energy: -4.031
local terms energy: -530.566882
where:
bonds (distance) C4'-P energy: -105.542
bonds (distance) P-C4' energy: -101.855
flat angles C4'-P-C4' energy: -112.122
flat angles P-C4'-P energy: -71.473
tors. eta vs tors. theta energy: -139.575
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: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1674.174353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.174353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.174353 (E_RNA)
where:
Base-Base interactions energy: -1172.286
where: short stacking energy: -469.175
Base-Backbone interact. energy: -2.297
local terms energy: -499.591551
where:
bonds (distance) C4'-P energy: -92.818
bonds (distance) P-C4' energy: -102.219
flat angles C4'-P-C4' energy: -110.885
flat angles P-C4'-P energy: -61.931
tors. eta vs tors. theta energy: -131.739
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: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1658.653317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.653317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.653317 (E_RNA)
where:
Base-Base interactions energy: -1159.112
where: short stacking energy: -476.512
Base-Backbone interact. energy: -2.498
local terms energy: -497.042995
where:
bonds (distance) C4'-P energy: -88.550
bonds (distance) P-C4' energy: -98.571
flat angles C4'-P-C4' energy: -104.437
flat angles P-C4'-P energy: -80.773
tors. eta vs tors. theta energy: -124.712
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: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1502.236935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.236935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.236935 (E_RNA)
where:
Base-Base interactions energy: -1024.588
where: short stacking energy: -432.216
Base-Backbone interact. energy: -1.037
local terms energy: -476.611735
where:
bonds (distance) C4'-P energy: -94.639
bonds (distance) P-C4' energy: -99.747
flat angles C4'-P-C4' energy: -105.097
flat angles P-C4'-P energy: -66.745
tors. eta vs tors. theta energy: -110.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1480.363132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.363132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.363132 (E_RNA)
where:
Base-Base interactions energy: -1007.180
where: short stacking energy: -406.539
Base-Backbone interact. energy: -4.012
local terms energy: -469.170989
where:
bonds (distance) C4'-P energy: -89.050
bonds (distance) P-C4' energy: -105.824
flat angles C4'-P-C4' energy: -98.372
flat angles P-C4'-P energy: -62.967
tors. eta vs tors. theta energy: -112.958
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: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1406.198974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.198974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.198974 (E_RNA)
where:
Base-Base interactions energy: -966.248
where: short stacking energy: -374.567
Base-Backbone interact. energy: -1.616
local terms energy: -438.335411
where:
bonds (distance) C4'-P energy: -85.392
bonds (distance) P-C4' energy: -88.346
flat angles C4'-P-C4' energy: -93.127
flat angles P-C4'-P energy: -76.396
tors. eta vs tors. theta energy: -95.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1132.980204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.980204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.980204 (E_RNA)
where:
Base-Base interactions energy: -761.045
where: short stacking energy: -315.074
Base-Backbone interact. energy: 2.091
local terms energy: -374.026212
where:
bonds (distance) C4'-P energy: -83.490
bonds (distance) P-C4' energy: -88.525
flat angles C4'-P-C4' energy: -72.877
flat angles P-C4'-P energy: -58.907
tors. eta vs tors. theta energy: -70.228
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: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -840.738981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.738981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.738981 (E_RNA)
where:
Base-Base interactions energy: -489.052
where: short stacking energy: -208.408
Base-Backbone interact. energy: -1.920
local terms energy: -349.767065
where:
bonds (distance) C4'-P energy: -103.263
bonds (distance) P-C4' energy: -93.516
flat angles C4'-P-C4' energy: -82.183
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -28.761
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: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -622.793069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.793069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.793069 (E_RNA)
where:
Base-Base interactions energy: -340.604
where: short stacking energy: -192.320
Base-Backbone interact. energy: -2.725
local terms energy: -279.464473
where:
bonds (distance) C4'-P energy: -85.234
bonds (distance) P-C4' energy: -82.981
flat angles C4'-P-C4' energy: -73.912
flat angles P-C4'-P energy: -33.448
tors. eta vs tors. theta energy: -3.890
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: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1865.620547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.620547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.620547 (E_RNA)
where:
Base-Base interactions energy: -1319.042
where: short stacking energy: -518.442
Base-Backbone interact. energy: -3.318
local terms energy: -543.260147
where:
bonds (distance) C4'-P energy: -97.118
bonds (distance) P-C4' energy: -98.213
flat angles C4'-P-C4' energy: -124.515
flat angles P-C4'-P energy: -83.478
tors. eta vs tors. theta energy: -139.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1792.983600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.983600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.983600 (E_RNA)
where:
Base-Base interactions energy: -1264.802
where: short stacking energy: -528.406
Base-Backbone interact. energy: -3.515
local terms energy: -524.666893
where:
bonds (distance) C4'-P energy: -90.387
bonds (distance) P-C4' energy: -96.620
flat angles C4'-P-C4' energy: -110.510
flat angles P-C4'-P energy: -81.972
tors. eta vs tors. theta energy: -145.178
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: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1697.092891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.092891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.092891 (E_RNA)
where:
Base-Base interactions energy: -1188.158
where: short stacking energy: -475.108
Base-Backbone interact. energy: -1.425
local terms energy: -507.509849
where:
bonds (distance) C4'-P energy: -108.901
bonds (distance) P-C4' energy: -103.661
flat angles C4'-P-C4' energy: -94.089
flat angles P-C4'-P energy: -67.529
tors. eta vs tors. theta energy: -133.330
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: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1651.958879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.958879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.958879 (E_RNA)
where:
Base-Base interactions energy: -1138.321
where: short stacking energy: -473.050
Base-Backbone interact. energy: -1.060
local terms energy: -512.578408
where:
bonds (distance) C4'-P energy: -97.510
bonds (distance) P-C4' energy: -95.689
flat angles C4'-P-C4' energy: -113.707
flat angles P-C4'-P energy: -71.693
tors. eta vs tors. theta energy: -133.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1494.901379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.901379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.901379 (E_RNA)
where:
Base-Base interactions energy: -1020.083
where: short stacking energy: -439.125
Base-Backbone interact. energy: -1.448
local terms energy: -473.370600
where:
bonds (distance) C4'-P energy: -84.871
bonds (distance) P-C4' energy: -95.433
flat angles C4'-P-C4' energy: -109.305
flat angles P-C4'-P energy: -66.623
tors. eta vs tors. theta energy: -117.139
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: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1463.983732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.983732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.983732 (E_RNA)
where:
Base-Base interactions energy: -1004.186
where: short stacking energy: -426.893
Base-Backbone interact. energy: -1.529
local terms energy: -458.268547
where:
bonds (distance) C4'-P energy: -76.564
bonds (distance) P-C4' energy: -96.071
flat angles C4'-P-C4' energy: -107.820
flat angles P-C4'-P energy: -69.599
tors. eta vs tors. theta energy: -108.215
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: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1420.070306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.070306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.070306 (E_RNA)
where:
Base-Base interactions energy: -1026.939
where: short stacking energy: -412.905
Base-Backbone interact. energy: 1.320
local terms energy: -394.451509
where:
bonds (distance) C4'-P energy: -91.812
bonds (distance) P-C4' energy: -61.115
flat angles C4'-P-C4' energy: -94.303
flat angles P-C4'-P energy: -55.249
tors. eta vs tors. theta energy: -91.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1132.302698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.302698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.302698 (E_RNA)
where:
Base-Base interactions energy: -727.348
where: short stacking energy: -320.894
Base-Backbone interact. energy: 4.543
local terms energy: -409.497577
where:
bonds (distance) C4'-P energy: -88.581
bonds (distance) P-C4' energy: -94.723
flat angles C4'-P-C4' energy: -91.361
flat angles P-C4'-P energy: -60.730
tors. eta vs tors. theta energy: -74.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -838.395205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.395205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.395205 (E_RNA)
where:
Base-Base interactions energy: -521.743
where: short stacking energy: -253.319
Base-Backbone interact. energy: -2.407
local terms energy: -314.244662
where:
bonds (distance) C4'-P energy: -78.367
bonds (distance) P-C4' energy: -79.474
flat angles C4'-P-C4' energy: -72.413
flat angles P-C4'-P energy: -63.236
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -603.613706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.613706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.613706 (E_RNA)
where:
Base-Base interactions energy: -300.861
where: short stacking energy: -176.658
Base-Backbone interact. energy: 3.213
local terms energy: -305.966034
where:
bonds (distance) C4'-P energy: -98.999
bonds (distance) P-C4' energy: -84.092
flat angles C4'-P-C4' energy: -80.330
flat angles P-C4'-P energy: -43.226
tors. eta vs tors. theta energy: 0.681
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: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1857.095180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.095180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.095180 (E_RNA)
where:
Base-Base interactions energy: -1301.336
where: short stacking energy: -520.233
Base-Backbone interact. energy: -6.737
local terms energy: -549.022145
where:
bonds (distance) C4'-P energy: -102.006
bonds (distance) P-C4' energy: -104.759
flat angles C4'-P-C4' energy: -113.078
flat angles P-C4'-P energy: -85.109
tors. eta vs tors. theta energy: -144.070
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: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1770.916231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.916231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.916231 (E_RNA)
where:
Base-Base interactions energy: -1251.566
where: short stacking energy: -507.765
Base-Backbone interact. energy: -1.758
local terms energy: -517.592698
where:
bonds (distance) C4'-P energy: -110.207
bonds (distance) P-C4' energy: -101.963
flat angles C4'-P-C4' energy: -107.998
flat angles P-C4'-P energy: -71.672
tors. eta vs tors. theta energy: -125.754
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: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1675.990619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.990619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.990619 (E_RNA)
where:
Base-Base interactions energy: -1171.241
where: short stacking energy: -473.831
Base-Backbone interact. energy: -0.384
local terms energy: -504.366267
where:
bonds (distance) C4'-P energy: -95.690
bonds (distance) P-C4' energy: -92.073
flat angles C4'-P-C4' energy: -107.236
flat angles P-C4'-P energy: -77.760
tors. eta vs tors. theta energy: -131.608
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: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1615.325444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.325444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.325444 (E_RNA)
where:
Base-Base interactions energy: -1118.611
where: short stacking energy: -450.480
Base-Backbone interact. energy: 0.947
local terms energy: -497.661259
where:
bonds (distance) C4'-P energy: -103.288
bonds (distance) P-C4' energy: -104.881
flat angles C4'-P-C4' energy: -112.670
flat angles P-C4'-P energy: -66.333
tors. eta vs tors. theta energy: -110.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1555.527132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.527132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.527132 (E_RNA)
where:
Base-Base interactions energy: -1079.618
where: short stacking energy: -446.044
Base-Backbone interact. energy: -1.976
local terms energy: -473.933532
where:
bonds (distance) C4'-P energy: -75.478
bonds (distance) P-C4' energy: -97.899
flat angles C4'-P-C4' energy: -108.236
flat angles P-C4'-P energy: -66.547
tors. eta vs tors. theta energy: -125.773
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: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1468.688168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.688168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.688168 (E_RNA)
where:
Base-Base interactions energy: -994.728
where: short stacking energy: -406.731
Base-Backbone interact. energy: -1.904
local terms energy: -472.055522
where:
bonds (distance) C4'-P energy: -90.497
bonds (distance) P-C4' energy: -109.503
flat angles C4'-P-C4' energy: -94.402
flat angles P-C4'-P energy: -74.334
tors. eta vs tors. theta energy: -103.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1428.887368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.887368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.887368 (E_RNA)
where:
Base-Base interactions energy: -998.279
where: short stacking energy: -409.502
Base-Backbone interact. energy: -2.065
local terms energy: -428.543410
where:
bonds (distance) C4'-P energy: -79.365
bonds (distance) P-C4' energy: -91.580
flat angles C4'-P-C4' energy: -89.650
flat angles P-C4'-P energy: -61.402
tors. eta vs tors. theta energy: -106.547
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: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1117.912936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.912936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.912936 (E_RNA)
where:
Base-Base interactions energy: -749.004
where: short stacking energy: -331.298
Base-Backbone interact. energy: 1.726
local terms energy: -370.634599
where:
bonds (distance) C4'-P energy: -84.615
bonds (distance) P-C4' energy: -95.234
flat angles C4'-P-C4' energy: -85.128
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -66.811
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: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -897.664507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.664507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.664507 (E_RNA)
where:
Base-Base interactions energy: -549.582
where: short stacking energy: -255.122
Base-Backbone interact. energy: 1.273
local terms energy: -349.355492
where:
bonds (distance) C4'-P energy: -61.236
bonds (distance) P-C4' energy: -101.240
flat angles C4'-P-C4' energy: -97.936
flat angles P-C4'-P energy: -44.393
tors. eta vs tors. theta energy: -44.550
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: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -644.469465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.469465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.469465 (E_RNA)
where:
Base-Base interactions energy: -328.615
where: short stacking energy: -187.280
Base-Backbone interact. energy: 2.070
local terms energy: -317.924476
where:
bonds (distance) C4'-P energy: -73.623
bonds (distance) P-C4' energy: -96.267
flat angles C4'-P-C4' energy: -74.267
flat angles P-C4'-P energy: -56.600
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1845.922070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.922070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.922070 (E_RNA)
where:
Base-Base interactions energy: -1291.693
where: short stacking energy: -518.833
Base-Backbone interact. energy: -2.915
local terms energy: -551.313693
where:
bonds (distance) C4'-P energy: -97.193
bonds (distance) P-C4' energy: -106.364
flat angles C4'-P-C4' energy: -122.052
flat angles P-C4'-P energy: -79.028
tors. eta vs tors. theta energy: -146.677
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: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1764.520208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.520208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.520208 (E_RNA)
where:
Base-Base interactions energy: -1245.517
where: short stacking energy: -484.409
Base-Backbone interact. energy: -1.416
local terms energy: -517.587365
where:
bonds (distance) C4'-P energy: -108.291
bonds (distance) P-C4' energy: -98.586
flat angles C4'-P-C4' energy: -110.386
flat angles P-C4'-P energy: -72.228
tors. eta vs tors. theta energy: -128.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1701.808885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.808885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.808885 (E_RNA)
where:
Base-Base interactions energy: -1169.867
where: short stacking energy: -500.005
Base-Backbone interact. energy: 3.455
local terms energy: -535.396578
where:
bonds (distance) C4'-P energy: -94.789
bonds (distance) P-C4' energy: -100.975
flat angles C4'-P-C4' energy: -114.062
flat angles P-C4'-P energy: -83.816
tors. eta vs tors. theta energy: -141.754
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: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1597.780108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.780108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.780108 (E_RNA)
where:
Base-Base interactions energy: -1091.376
where: short stacking energy: -458.722
Base-Backbone interact. energy: -1.264
local terms energy: -505.140587
where:
bonds (distance) C4'-P energy: -95.598
bonds (distance) P-C4' energy: -97.846
flat angles C4'-P-C4' energy: -106.489
flat angles P-C4'-P energy: -76.996
tors. eta vs tors. theta energy: -128.212
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: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1539.383471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.383471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.383471 (E_RNA)
where:
Base-Base interactions energy: -1064.401
where: short stacking energy: -445.296
Base-Backbone interact. energy: 1.039
local terms energy: -476.022245
where:
bonds (distance) C4'-P energy: -93.027
bonds (distance) P-C4' energy: -98.074
flat angles C4'-P-C4' energy: -104.662
flat angles P-C4'-P energy: -67.937
tors. eta vs tors. theta energy: -112.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1502.544464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.544464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.544464 (E_RNA)
where:
Base-Base interactions energy: -1072.270
where: short stacking energy: -441.727
Base-Backbone interact. energy: -1.402
local terms energy: -428.871645
where:
bonds (distance) C4'-P energy: -83.650
bonds (distance) P-C4' energy: -85.421
flat angles C4'-P-C4' energy: -102.654
flat angles P-C4'-P energy: -48.874
tors. eta vs tors. theta energy: -108.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1376.879770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.879770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.879770 (E_RNA)
where:
Base-Base interactions energy: -981.195
where: short stacking energy: -410.842
Base-Backbone interact. energy: -1.946
local terms energy: -393.738320
where:
bonds (distance) C4'-P energy: -62.325
bonds (distance) P-C4' energy: -88.282
flat angles C4'-P-C4' energy: -100.936
flat angles P-C4'-P energy: -57.893
tors. eta vs tors. theta energy: -84.303
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: 247
Temperature: 1.250000
Total energy: -1142.118848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.118848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.118848 (E_RNA)
where:
Base-Base interactions energy: -740.014
where: short stacking energy: -310.860
Base-Backbone interact. energy: -0.441
local terms energy: -401.663789
where:
bonds (distance) C4'-P energy: -88.774
bonds (distance) P-C4' energy: -88.130
flat angles C4'-P-C4' energy: -87.808
flat angles P-C4'-P energy: -77.736
tors. eta vs tors. theta energy: -59.215
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: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -865.251461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.251461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.251461 (E_RNA)
where:
Base-Base interactions energy: -521.625
where: short stacking energy: -258.560
Base-Backbone interact. energy: 1.497
local terms energy: -345.122681
where:
bonds (distance) C4'-P energy: -68.920
bonds (distance) P-C4' energy: -88.249
flat angles C4'-P-C4' energy: -97.076
flat angles P-C4'-P energy: -35.555
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: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -592.307191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.307191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.307191 (E_RNA)
where:
Base-Base interactions energy: -313.274
where: short stacking energy: -168.328
Base-Backbone interact. energy: 2.671
local terms energy: -281.704536
where:
bonds (distance) C4'-P energy: -74.291
bonds (distance) P-C4' energy: -82.066
flat angles C4'-P-C4' energy: -90.930
flat angles P-C4'-P energy: -33.554
tors. eta vs tors. theta energy: -0.863
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: 248
Temperature: 0.900000
Total energy: -1849.418979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.418979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.418979 (E_RNA)
where:
Base-Base interactions energy: -1320.430
where: short stacking energy: -525.585
Base-Backbone interact. energy: -3.441
local terms energy: -525.548115
where:
bonds (distance) C4'-P energy: -88.760
bonds (distance) P-C4' energy: -99.753
flat angles C4'-P-C4' energy: -110.632
flat angles P-C4'-P energy: -75.703
tors. eta vs tors. theta energy: -150.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1741.514863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.514863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.514863 (E_RNA)
where:
Base-Base interactions energy: -1205.862
where: short stacking energy: -489.719
Base-Backbone interact. energy: -4.532
local terms energy: -531.120778
where:
bonds (distance) C4'-P energy: -100.939
bonds (distance) P-C4' energy: -104.452
flat angles C4'-P-C4' energy: -110.884
flat angles P-C4'-P energy: -82.706
tors. eta vs tors. theta energy: -132.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1712.196615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.196615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.196615 (E_RNA)
where:
Base-Base interactions energy: -1193.309
where: short stacking energy: -511.024
Base-Backbone interact. energy: -1.410
local terms energy: -517.477626
where:
bonds (distance) C4'-P energy: -92.746
bonds (distance) P-C4' energy: -99.131
flat angles C4'-P-C4' energy: -113.121
flat angles P-C4'-P energy: -68.432
tors. eta vs tors. theta energy: -144.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1574.080461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.080461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.080461 (E_RNA)
where:
Base-Base interactions energy: -1100.013
where: short stacking energy: -464.878
Base-Backbone interact. energy: -2.633
local terms energy: -471.434994
where:
bonds (distance) C4'-P energy: -79.500
bonds (distance) P-C4' energy: -108.012
flat angles C4'-P-C4' energy: -100.066
flat angles P-C4'-P energy: -64.607
tors. eta vs tors. theta energy: -119.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1530.756879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.756879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.756879 (E_RNA)
where:
Base-Base interactions energy: -1083.494
where: short stacking energy: -445.554
Base-Backbone interact. energy: 2.322
local terms energy: -449.584975
where:
bonds (distance) C4'-P energy: -87.784
bonds (distance) P-C4' energy: -83.971
flat angles C4'-P-C4' energy: -92.999
flat angles P-C4'-P energy: -65.307
tors. eta vs tors. theta energy: -119.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1480.627578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.627578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.627578 (E_RNA)
where:
Base-Base interactions energy: -1069.852
where: short stacking energy: -425.829
Base-Backbone interact. energy: -1.972
local terms energy: -408.803202
where:
bonds (distance) C4'-P energy: -75.494
bonds (distance) P-C4' energy: -82.156
flat angles C4'-P-C4' energy: -79.534
flat angles P-C4'-P energy: -57.207
tors. eta vs tors. theta energy: -114.413
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: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1376.270938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.270938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.270938 (E_RNA)
where:
Base-Base interactions energy: -964.914
where: short stacking energy: -373.975
Base-Backbone interact. energy: 1.534
local terms energy: -412.890465
where:
bonds (distance) C4'-P energy: -71.645
bonds (distance) P-C4' energy: -96.342
flat angles C4'-P-C4' energy: -97.036
flat angles P-C4'-P energy: -61.109
tors. eta vs tors. theta energy: -86.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1127.896333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.896333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.896333 (E_RNA)
where:
Base-Base interactions energy: -738.769
where: short stacking energy: -345.282
Base-Backbone interact. energy: 0.374
local terms energy: -389.500909
where:
bonds (distance) C4'-P energy: -72.394
bonds (distance) P-C4' energy: -87.179
flat angles C4'-P-C4' energy: -91.561
flat angles P-C4'-P energy: -54.457
tors. eta vs tors. theta energy: -83.909
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: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -859.519334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.519334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.519334 (E_RNA)
where:
Base-Base interactions energy: -510.302
where: short stacking energy: -239.633
Base-Backbone interact. energy: -0.642
local terms energy: -348.574996
where:
bonds (distance) C4'-P energy: -84.754
bonds (distance) P-C4' energy: -80.300
flat angles C4'-P-C4' energy: -78.670
flat angles P-C4'-P energy: -56.594
tors. eta vs tors. theta energy: -48.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -582.283064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.283064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.283064 (E_RNA)
where:
Base-Base interactions energy: -314.641
where: short stacking energy: -166.448
Base-Backbone interact. energy: 0.054
local terms energy: -267.696061
where:
bonds (distance) C4'-P energy: -72.965
bonds (distance) P-C4' energy: -69.716
flat angles C4'-P-C4' energy: -73.518
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -8.406
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: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1831.283576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.283576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.283576 (E_RNA)
where:
Base-Base interactions energy: -1298.503
where: short stacking energy: -508.255
Base-Backbone interact. energy: 2.906
local terms energy: -535.686165
where:
bonds (distance) C4'-P energy: -98.633
bonds (distance) P-C4' energy: -99.664
flat angles C4'-P-C4' energy: -115.808
flat angles P-C4'-P energy: -79.466
tors. eta vs tors. theta energy: -142.116
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: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1760.835607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.835607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.835607 (E_RNA)
where:
Base-Base interactions energy: -1227.018
where: short stacking energy: -529.310
Base-Backbone interact. energy: -1.979
local terms energy: -531.838696
where:
bonds (distance) C4'-P energy: -95.947
bonds (distance) P-C4' energy: -95.722
flat angles C4'-P-C4' energy: -117.374
flat angles P-C4'-P energy: -77.286
tors. eta vs tors. theta energy: -145.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1745.074885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.074885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.074885 (E_RNA)
where:
Base-Base interactions energy: -1225.976
where: short stacking energy: -492.811
Base-Backbone interact. energy: -0.103
local terms energy: -518.996314
where:
bonds (distance) C4'-P energy: -102.497
bonds (distance) P-C4' energy: -98.143
flat angles C4'-P-C4' energy: -106.221
flat angles P-C4'-P energy: -88.819
tors. eta vs tors. theta energy: -123.316
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: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1604.624846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.624846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.624846 (E_RNA)
where:
Base-Base interactions energy: -1139.204
where: short stacking energy: -456.788
Base-Backbone interact. energy: 7.854
local terms energy: -473.274709
where:
bonds (distance) C4'-P energy: -86.107
bonds (distance) P-C4' energy: -96.000
flat angles C4'-P-C4' energy: -106.930
flat angles P-C4'-P energy: -74.218
tors. eta vs tors. theta energy: -110.021
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: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1518.499206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.499206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.499206 (E_RNA)
where:
Base-Base interactions energy: -1043.303
where: short stacking energy: -419.100
Base-Backbone interact. energy: 1.623
local terms energy: -476.819595
where:
bonds (distance) C4'-P energy: -72.762
bonds (distance) P-C4' energy: -98.636
flat angles C4'-P-C4' energy: -113.702
flat angles P-C4'-P energy: -71.706
tors. eta vs tors. theta energy: -120.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1553.196179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.196179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.196179 (E_RNA)
where:
Base-Base interactions energy: -1100.003
where: short stacking energy: -445.642
Base-Backbone interact. energy: -0.938
local terms energy: -452.254747
where:
bonds (distance) C4'-P energy: -77.570
bonds (distance) P-C4' energy: -81.300
flat angles C4'-P-C4' energy: -98.822
flat angles P-C4'-P energy: -80.503
tors. eta vs tors. theta energy: -114.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1378.490389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.490389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.490389 (E_RNA)
where:
Base-Base interactions energy: -953.962
where: short stacking energy: -374.133
Base-Backbone interact. energy: -2.198
local terms energy: -422.330240
where:
bonds (distance) C4'-P energy: -78.487
bonds (distance) P-C4' energy: -87.219
flat angles C4'-P-C4' energy: -99.625
flat angles P-C4'-P energy: -71.455
tors. eta vs tors. theta energy: -85.543
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: 249
Temperature: 1.250000
Total energy: -1137.959156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.959156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.959156 (E_RNA)
where:
Base-Base interactions energy: -774.744
where: short stacking energy: -330.477
Base-Backbone interact. energy: 1.612
local terms energy: -364.826581
where:
bonds (distance) C4'-P energy: -64.779
bonds (distance) P-C4' energy: -82.961
flat angles C4'-P-C4' energy: -90.247
flat angles P-C4'-P energy: -56.520
tors. eta vs tors. theta energy: -70.321
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: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -835.923018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.923018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.923018 (E_RNA)
where:
Base-Base interactions energy: -501.132
where: short stacking energy: -256.303
Base-Backbone interact. energy: -1.361
local terms energy: -333.430217
where:
bonds (distance) C4'-P energy: -77.015
bonds (distance) P-C4' energy: -90.333
flat angles C4'-P-C4' energy: -88.591
flat angles P-C4'-P energy: -56.082
tors. eta vs tors. theta energy: -21.408
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: 249
Temperature: 1.350000
Total energy: -565.946879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.946879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.946879 (E_RNA)
where:
Base-Base interactions energy: -316.489
where: short stacking energy: -177.762
Base-Backbone interact. energy: -1.025
local terms energy: -248.432596
where:
bonds (distance) C4'-P energy: -77.513
bonds (distance) P-C4' energy: -71.614
flat angles C4'-P-C4' energy: -58.534
flat angles P-C4'-P energy: -48.299
tors. eta vs tors. theta energy: 7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1844.479719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.479719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.479719 (E_RNA)
where:
Base-Base interactions energy: -1309.470
where: short stacking energy: -543.850
Base-Backbone interact. energy: -4.596
local terms energy: -530.413015
where:
bonds (distance) C4'-P energy: -97.374
bonds (distance) P-C4' energy: -101.319
flat angles C4'-P-C4' energy: -115.921
flat angles P-C4'-P energy: -70.744
tors. eta vs tors. theta energy: -145.055
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: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1787.336708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.336708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.336708 (E_RNA)
where:
Base-Base interactions energy: -1231.638
where: short stacking energy: -535.446
Base-Backbone interact. energy: -1.484
local terms energy: -554.214825
where:
bonds (distance) C4'-P energy: -99.345
bonds (distance) P-C4' energy: -106.331
flat angles C4'-P-C4' energy: -117.011
flat angles P-C4'-P energy: -79.968
tors. eta vs tors. theta energy: -151.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1707.877412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.877412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.877412 (E_RNA)
where:
Base-Base interactions energy: -1183.163
where: short stacking energy: -482.260
Base-Backbone interact. energy: -1.755
local terms energy: -522.959511
where:
bonds (distance) C4'-P energy: -93.428
bonds (distance) P-C4' energy: -105.714
flat angles C4'-P-C4' energy: -112.767
flat angles P-C4'-P energy: -75.822
tors. eta vs tors. theta energy: -135.229
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: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1628.913121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.913121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.913121 (E_RNA)
where:
Base-Base interactions energy: -1132.482
where: short stacking energy: -475.968
Base-Backbone interact. energy: -1.806
local terms energy: -494.625639
where:
bonds (distance) C4'-P energy: -88.182
bonds (distance) P-C4' energy: -99.405
flat angles C4'-P-C4' energy: -116.743
flat angles P-C4'-P energy: -65.630
tors. eta vs tors. theta energy: -124.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1600.566617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.566617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.566617 (E_RNA)
where:
Base-Base interactions energy: -1111.323
where: short stacking energy: -470.124
Base-Backbone interact. energy: -2.534
local terms energy: -486.709469
where:
bonds (distance) C4'-P energy: -93.193
bonds (distance) P-C4' energy: -100.556
flat angles C4'-P-C4' energy: -104.311
flat angles P-C4'-P energy: -57.049
tors. eta vs tors. theta energy: -131.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1471.964606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.964606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.964606 (E_RNA)
where:
Base-Base interactions energy: -1025.587
where: short stacking energy: -406.201
Base-Backbone interact. energy: -3.641
local terms energy: -442.736156
where:
bonds (distance) C4'-P energy: -80.683
bonds (distance) P-C4' energy: -92.979
flat angles C4'-P-C4' energy: -94.689
flat angles P-C4'-P energy: -66.856
tors. eta vs tors. theta energy: -107.530
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: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1326.357184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.357184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.357184 (E_RNA)
where:
Base-Base interactions energy: -896.701
where: short stacking energy: -380.934
Base-Backbone interact. energy: -3.005
local terms energy: -426.651212
where:
bonds (distance) C4'-P energy: -88.732
bonds (distance) P-C4' energy: -83.954
flat angles C4'-P-C4' energy: -92.606
flat angles P-C4'-P energy: -64.579
tors. eta vs tors. theta energy: -96.780
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: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1130.988042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.988042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.988042 (E_RNA)
where:
Base-Base interactions energy: -741.242
where: short stacking energy: -313.112
Base-Backbone interact. energy: -1.202
local terms energy: -388.543988
where:
bonds (distance) C4'-P energy: -85.906
bonds (distance) P-C4' energy: -100.376
flat angles C4'-P-C4' energy: -90.836
flat angles P-C4'-P energy: -50.890
tors. eta vs tors. theta energy: -60.536
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: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -830.464579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.464579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.464579 (E_RNA)
where:
Base-Base interactions energy: -499.185
where: short stacking energy: -208.546
Base-Backbone interact. energy: -1.706
local terms energy: -329.574078
where:
bonds (distance) C4'-P energy: -72.887
bonds (distance) P-C4' energy: -73.022
flat angles C4'-P-C4' energy: -78.022
flat angles P-C4'-P energy: -64.409
tors. eta vs tors. theta energy: -41.234
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: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -553.832768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.832768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.832768 (E_RNA)
where:
Base-Base interactions energy: -261.676
where: short stacking energy: -133.998
Base-Backbone interact. energy: -1.309
local terms energy: -290.848176
where:
bonds (distance) C4'-P energy: -98.761
bonds (distance) P-C4' energy: -88.164
flat angles C4'-P-C4' energy: -79.014
flat angles P-C4'-P energy: -35.522
tors. eta vs tors. theta energy: 10.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1832.509134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.509134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.509134 (E_RNA)
where:
Base-Base interactions energy: -1296.713
where: short stacking energy: -524.845
Base-Backbone interact. energy: -5.154
local terms energy: -530.642198
where:
bonds (distance) C4'-P energy: -101.102
bonds (distance) P-C4' energy: -98.970
flat angles C4'-P-C4' energy: -113.171
flat angles P-C4'-P energy: -70.607
tors. eta vs tors. theta energy: -146.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1802.098354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.098354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.098354 (E_RNA)
where:
Base-Base interactions energy: -1249.447
where: short stacking energy: -528.166
Base-Backbone interact. energy: -1.754
local terms energy: -550.897101
where:
bonds (distance) C4'-P energy: -94.871
bonds (distance) P-C4' energy: -112.183
flat angles C4'-P-C4' energy: -118.421
flat angles P-C4'-P energy: -76.256
tors. eta vs tors. theta energy: -149.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1725.590694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.590694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.590694 (E_RNA)
where:
Base-Base interactions energy: -1235.922
where: short stacking energy: -483.211
Base-Backbone interact. energy: -4.734
local terms energy: -484.935370
where:
bonds (distance) C4'-P energy: -91.896
bonds (distance) P-C4' energy: -93.533
flat angles C4'-P-C4' energy: -110.107
flat angles P-C4'-P energy: -61.112
tors. eta vs tors. theta energy: -128.288
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: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1632.758149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.758149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.758149 (E_RNA)
where:
Base-Base interactions energy: -1127.508
where: short stacking energy: -454.683
Base-Backbone interact. energy: -1.093
local terms energy: -504.156563
where:
bonds (distance) C4'-P energy: -93.643
bonds (distance) P-C4' energy: -86.457
flat angles C4'-P-C4' energy: -108.214
flat angles P-C4'-P energy: -82.412
tors. eta vs tors. theta energy: -133.430
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: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1626.496062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.496062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.496062 (E_RNA)
where:
Base-Base interactions energy: -1138.851
where: short stacking energy: -468.632
Base-Backbone interact. energy: -2.235
local terms energy: -485.409803
where:
bonds (distance) C4'-P energy: -92.620
bonds (distance) P-C4' energy: -91.098
flat angles C4'-P-C4' energy: -109.184
flat angles P-C4'-P energy: -62.175
tors. eta vs tors. theta energy: -130.334
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: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1377.998818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.998818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.998818 (E_RNA)
where:
Base-Base interactions energy: -967.029
where: short stacking energy: -395.007
Base-Backbone interact. energy: 1.237
local terms energy: -412.207395
where:
bonds (distance) C4'-P energy: -69.923
bonds (distance) P-C4' energy: -92.135
flat angles C4'-P-C4' energy: -93.771
flat angles P-C4'-P energy: -62.971
tors. eta vs tors. theta energy: -93.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1419.035402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.035402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.035402 (E_RNA)
where:
Base-Base interactions energy: -993.370
where: short stacking energy: -404.405
Base-Backbone interact. energy: 4.924
local terms energy: -430.589942
where:
bonds (distance) C4'-P energy: -74.773
bonds (distance) P-C4' energy: -86.411
flat angles C4'-P-C4' energy: -92.550
flat angles P-C4'-P energy: -68.711
tors. eta vs tors. theta energy: -108.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1110.427464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.427464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.427464 (E_RNA)
where:
Base-Base interactions energy: -731.270
where: short stacking energy: -351.461
Base-Backbone interact. energy: -0.819
local terms energy: -378.337781
where:
bonds (distance) C4'-P energy: -74.519
bonds (distance) P-C4' energy: -85.455
flat angles C4'-P-C4' energy: -106.958
flat angles P-C4'-P energy: -51.848
tors. eta vs tors. theta energy: -59.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -808.831429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.831429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.831429 (E_RNA)
where:
Base-Base interactions energy: -455.057
where: short stacking energy: -227.953
Base-Backbone interact. energy: -0.923
local terms energy: -352.850984
where:
bonds (distance) C4'-P energy: -97.871
bonds (distance) P-C4' energy: -89.660
flat angles C4'-P-C4' energy: -84.108
flat angles P-C4'-P energy: -50.266
tors. eta vs tors. theta energy: -30.945
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: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -534.490696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.490696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.490696 (E_RNA)
where:
Base-Base interactions energy: -257.783
where: short stacking energy: -156.056
Base-Backbone interact. energy: -2.445
local terms energy: -274.262739
where:
bonds (distance) C4'-P energy: -72.758
bonds (distance) P-C4' energy: -79.761
flat angles C4'-P-C4' energy: -82.136
flat angles P-C4'-P energy: -42.083
tors. eta vs tors. theta energy: 2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1847.157227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.157227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.157227 (E_RNA)
where:
Base-Base interactions energy: -1299.447
where: short stacking energy: -528.250
Base-Backbone interact. energy: -6.006
local terms energy: -541.704155
where:
bonds (distance) C4'-P energy: -109.495
bonds (distance) P-C4' energy: -97.395
flat angles C4'-P-C4' energy: -115.964
flat angles P-C4'-P energy: -78.688
tors. eta vs tors. theta energy: -140.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1744.634529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.634529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.634529 (E_RNA)
where:
Base-Base interactions energy: -1221.036
where: short stacking energy: -521.592
Base-Backbone interact. energy: 5.653
local terms energy: -529.251990
where:
bonds (distance) C4'-P energy: -91.681
bonds (distance) P-C4' energy: -106.040
flat angles C4'-P-C4' energy: -116.070
flat angles P-C4'-P energy: -68.739
tors. eta vs tors. theta energy: -146.722
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: 252
Temperature: 1.000000
Total energy: -1697.453855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.453855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.453855 (E_RNA)
where:
Base-Base interactions energy: -1199.854
where: short stacking energy: -475.068
Base-Backbone interact. energy: 3.066
local terms energy: -500.666569
where:
bonds (distance) C4'-P energy: -86.228
bonds (distance) P-C4' energy: -95.752
flat angles C4'-P-C4' energy: -105.277
flat angles P-C4'-P energy: -77.776
tors. eta vs tors. theta energy: -135.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1601.279058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.279058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.279058 (E_RNA)
where:
Base-Base interactions energy: -1113.274
where: short stacking energy: -447.572
Base-Backbone interact. energy: -0.922
local terms energy: -487.083785
where:
bonds (distance) C4'-P energy: -90.636
bonds (distance) P-C4' energy: -99.231
flat angles C4'-P-C4' energy: -108.825
flat angles P-C4'-P energy: -78.724
tors. eta vs tors. theta energy: -109.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1634.639851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.639851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.639851 (E_RNA)
where:
Base-Base interactions energy: -1159.161
where: short stacking energy: -482.818
Base-Backbone interact. energy: -2.975
local terms energy: -472.504311
where:
bonds (distance) C4'-P energy: -84.594
bonds (distance) P-C4' energy: -87.559
flat angles C4'-P-C4' energy: -98.010
flat angles P-C4'-P energy: -73.076
tors. eta vs tors. theta energy: -129.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1385.212442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.212442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.212442 (E_RNA)
where:
Base-Base interactions energy: -975.658
where: short stacking energy: -376.217
Base-Backbone interact. energy: 0.378
local terms energy: -409.932482
where:
bonds (distance) C4'-P energy: -89.033
bonds (distance) P-C4' energy: -84.101
flat angles C4'-P-C4' energy: -103.526
flat angles P-C4'-P energy: -46.252
tors. eta vs tors. theta energy: -87.020
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: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1410.828944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.828944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.828944 (E_RNA)
where:
Base-Base interactions energy: -977.749
where: short stacking energy: -411.026
Base-Backbone interact. energy: 5.473
local terms energy: -438.553200
where:
bonds (distance) C4'-P energy: -69.450
bonds (distance) P-C4' energy: -92.286
flat angles C4'-P-C4' energy: -109.232
flat angles P-C4'-P energy: -61.934
tors. eta vs tors. theta energy: -105.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1112.691739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.691739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.691739 (E_RNA)
where:
Base-Base interactions energy: -760.996
where: short stacking energy: -334.774
Base-Backbone interact. energy: 3.021
local terms energy: -354.717533
where:
bonds (distance) C4'-P energy: -78.062
bonds (distance) P-C4' energy: -93.867
flat angles C4'-P-C4' energy: -76.786
flat angles P-C4'-P energy: -37.776
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: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -831.926770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.926770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.926770 (E_RNA)
where:
Base-Base interactions energy: -487.583
where: short stacking energy: -252.678
Base-Backbone interact. energy: -1.841
local terms energy: -342.502756
where:
bonds (distance) C4'-P energy: -73.969
bonds (distance) P-C4' energy: -78.357
flat angles C4'-P-C4' energy: -93.333
flat angles P-C4'-P energy: -55.789
tors. eta vs tors. theta energy: -41.055
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: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -563.075385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.075385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.075385 (E_RNA)
where:
Base-Base interactions energy: -274.628
where: short stacking energy: -186.016
Base-Backbone interact. energy: -0.856
local terms energy: -287.591416
where:
bonds (distance) C4'-P energy: -92.468
bonds (distance) P-C4' energy: -89.456
flat angles C4'-P-C4' energy: -56.791
flat angles P-C4'-P energy: -41.151
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1851.478998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.478998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.478998 (E_RNA)
where:
Base-Base interactions energy: -1318.359
where: short stacking energy: -544.173
Base-Backbone interact. energy: -3.574
local terms energy: -529.545173
where:
bonds (distance) C4'-P energy: -94.311
bonds (distance) P-C4' energy: -90.836
flat angles C4'-P-C4' energy: -116.720
flat angles P-C4'-P energy: -80.070
tors. eta vs tors. theta energy: -147.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1777.256230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.256230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.256230 (E_RNA)
where:
Base-Base interactions energy: -1232.474
where: short stacking energy: -506.121
Base-Backbone interact. energy: -0.023
local terms energy: -544.759052
where:
bonds (distance) C4'-P energy: -108.226
bonds (distance) P-C4' energy: -97.511
flat angles C4'-P-C4' energy: -115.561
flat angles P-C4'-P energy: -77.080
tors. eta vs tors. theta energy: -146.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1680.391388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.391388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.391388 (E_RNA)
where:
Base-Base interactions energy: -1176.293
where: short stacking energy: -476.143
Base-Backbone interact. energy: -0.805
local terms energy: -503.293713
where:
bonds (distance) C4'-P energy: -94.221
bonds (distance) P-C4' energy: -110.858
flat angles C4'-P-C4' energy: -100.009
flat angles P-C4'-P energy: -67.741
tors. eta vs tors. theta energy: -130.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1639.945033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.945033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.945033 (E_RNA)
where:
Base-Base interactions energy: -1124.476
where: short stacking energy: -473.148
Base-Backbone interact. energy: 1.472
local terms energy: -516.940914
where:
bonds (distance) C4'-P energy: -97.179
bonds (distance) P-C4' energy: -89.616
flat angles C4'-P-C4' energy: -119.383
flat angles P-C4'-P energy: -75.273
tors. eta vs tors. theta energy: -135.491
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: 253
Temperature: 1.100000
Total energy: -1552.655821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.655821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.655821 (E_RNA)
where:
Base-Base interactions energy: -1086.944
where: short stacking energy: -437.552
Base-Backbone interact. energy: -2.458
local terms energy: -463.254291
where:
bonds (distance) C4'-P energy: -76.508
bonds (distance) P-C4' energy: -95.444
flat angles C4'-P-C4' energy: -114.064
flat angles P-C4'-P energy: -71.978
tors. eta vs tors. theta energy: -105.261
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: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1387.071750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.071750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.071750 (E_RNA)
where:
Base-Base interactions energy: -963.091
where: short stacking energy: -389.743
Base-Backbone interact. energy: -1.649
local terms energy: -422.332254
where:
bonds (distance) C4'-P energy: -74.199
bonds (distance) P-C4' energy: -99.264
flat angles C4'-P-C4' energy: -90.386
flat angles P-C4'-P energy: -49.562
tors. eta vs tors. theta energy: -108.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1396.789538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.789538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.789538 (E_RNA)
where:
Base-Base interactions energy: -989.333
where: short stacking energy: -407.458
Base-Backbone interact. energy: 0.466
local terms energy: -407.922500
where:
bonds (distance) C4'-P energy: -87.189
bonds (distance) P-C4' energy: -89.219
flat angles C4'-P-C4' energy: -88.183
flat angles P-C4'-P energy: -43.963
tors. eta vs tors. theta energy: -99.369
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: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1141.140021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.140021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.140021 (E_RNA)
where:
Base-Base interactions energy: -775.434
where: short stacking energy: -318.151
Base-Backbone interact. energy: -0.726
local terms energy: -364.979979
where:
bonds (distance) C4'-P energy: -82.227
bonds (distance) P-C4' energy: -88.808
flat angles C4'-P-C4' energy: -91.423
flat angles P-C4'-P energy: -60.681
tors. eta vs tors. theta energy: -41.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -833.155514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.155514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.155514 (E_RNA)
where:
Base-Base interactions energy: -498.027
where: short stacking energy: -236.947
Base-Backbone interact. energy: -2.573
local terms energy: -332.555458
where:
bonds (distance) C4'-P energy: -93.053
bonds (distance) P-C4' energy: -98.723
flat angles C4'-P-C4' energy: -60.500
flat angles P-C4'-P energy: -45.297
tors. eta vs tors. theta energy: -34.983
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: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -556.909610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.909610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.909610 (E_RNA)
where:
Base-Base interactions energy: -258.343
where: short stacking energy: -150.878
Base-Backbone interact. energy: 3.649
local terms energy: -302.215991
where:
bonds (distance) C4'-P energy: -81.401
bonds (distance) P-C4' energy: -83.574
flat angles C4'-P-C4' energy: -76.559
flat angles P-C4'-P energy: -57.574
tors. eta vs tors. theta energy: -3.108
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: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1817.325784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.325784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.325784 (E_RNA)
where:
Base-Base interactions energy: -1281.861
where: short stacking energy: -517.153
Base-Backbone interact. energy: -1.211
local terms energy: -534.254158
where:
bonds (distance) C4'-P energy: -109.234
bonds (distance) P-C4' energy: -107.323
flat angles C4'-P-C4' energy: -100.900
flat angles P-C4'-P energy: -79.447
tors. eta vs tors. theta energy: -137.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1768.535899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.535899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.535899 (E_RNA)
where:
Base-Base interactions energy: -1226.649
where: short stacking energy: -511.514
Base-Backbone interact. energy: -1.925
local terms energy: -539.961238
where:
bonds (distance) C4'-P energy: -98.677
bonds (distance) P-C4' energy: -102.756
flat angles C4'-P-C4' energy: -118.344
flat angles P-C4'-P energy: -68.876
tors. eta vs tors. theta energy: -151.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1695.118910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.118910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.118910 (E_RNA)
where:
Base-Base interactions energy: -1182.021
where: short stacking energy: -467.467
Base-Backbone interact. energy: -3.144
local terms energy: -509.954299
where:
bonds (distance) C4'-P energy: -93.141
bonds (distance) P-C4' energy: -111.818
flat angles C4'-P-C4' energy: -109.604
flat angles P-C4'-P energy: -71.142
tors. eta vs tors. theta energy: -124.249
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: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1641.236654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.236654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.236654 (E_RNA)
where:
Base-Base interactions energy: -1155.612
where: short stacking energy: -487.166
Base-Backbone interact. energy: 1.037
local terms energy: -486.660873
where:
bonds (distance) C4'-P energy: -80.440
bonds (distance) P-C4' energy: -95.923
flat angles C4'-P-C4' energy: -99.397
flat angles P-C4'-P energy: -74.491
tors. eta vs tors. theta energy: -136.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1583.395030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.395030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.395030 (E_RNA)
where:
Base-Base interactions energy: -1087.795
where: short stacking energy: -444.712
Base-Backbone interact. energy: -1.561
local terms energy: -494.039715
where:
bonds (distance) C4'-P energy: -97.719
bonds (distance) P-C4' energy: -97.299
flat angles C4'-P-C4' energy: -106.718
flat angles P-C4'-P energy: -75.780
tors. eta vs tors. theta energy: -116.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1452.519502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.519502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.519502 (E_RNA)
where:
Base-Base interactions energy: -992.240
where: short stacking energy: -414.936
Base-Backbone interact. energy: -0.646
local terms energy: -459.633485
where:
bonds (distance) C4'-P energy: -92.756
bonds (distance) P-C4' energy: -99.773
flat angles C4'-P-C4' energy: -102.521
flat angles P-C4'-P energy: -55.060
tors. eta vs tors. theta energy: -109.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1367.627839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.627839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.627839 (E_RNA)
where:
Base-Base interactions energy: -925.693
where: short stacking energy: -375.963
Base-Backbone interact. energy: -0.458
local terms energy: -441.476811
where:
bonds (distance) C4'-P energy: -89.258
bonds (distance) P-C4' energy: -85.930
flat angles C4'-P-C4' energy: -108.843
flat angles P-C4'-P energy: -66.222
tors. eta vs tors. theta energy: -91.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1152.905381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.905381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.905381 (E_RNA)
where:
Base-Base interactions energy: -785.944
where: short stacking energy: -348.746
Base-Backbone interact. energy: 0.420
local terms energy: -367.382020
where:
bonds (distance) C4'-P energy: -68.165
bonds (distance) P-C4' energy: -84.726
flat angles C4'-P-C4' energy: -82.768
flat angles P-C4'-P energy: -52.368
tors. eta vs tors. theta energy: -79.356
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: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -845.709365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.709365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.709365 (E_RNA)
where:
Base-Base interactions energy: -520.861
where: short stacking energy: -246.059
Base-Backbone interact. energy: -1.991
local terms energy: -322.857605
where:
bonds (distance) C4'-P energy: -85.918
bonds (distance) P-C4' energy: -82.222
flat angles C4'-P-C4' energy: -76.826
flat angles P-C4'-P energy: -47.032
tors. eta vs tors. theta energy: -30.860
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: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -555.317084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.317084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.317084 (E_RNA)
where:
Base-Base interactions energy: -278.890
where: short stacking energy: -162.638
Base-Backbone interact. energy: 0.230
local terms energy: -276.657078
where:
bonds (distance) C4'-P energy: -84.339
bonds (distance) P-C4' energy: -96.375
flat angles C4'-P-C4' energy: -74.972
flat angles P-C4'-P energy: -31.010
tors. eta vs tors. theta energy: 10.039
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: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1839.150038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.150038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.150038 (E_RNA)
where:
Base-Base interactions energy: -1297.657
where: short stacking energy: -531.934
Base-Backbone interact. energy: 2.416
local terms energy: -543.909039
where:
bonds (distance) C4'-P energy: -98.834
bonds (distance) P-C4' energy: -106.700
flat angles C4'-P-C4' energy: -114.438
flat angles P-C4'-P energy: -72.077
tors. eta vs tors. theta energy: -151.860
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: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1779.511349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.511349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.511349 (E_RNA)
where:
Base-Base interactions energy: -1249.948
where: short stacking energy: -546.207
Base-Backbone interact. energy: -2.096
local terms energy: -527.467238
where:
bonds (distance) C4'-P energy: -93.716
bonds (distance) P-C4' energy: -97.280
flat angles C4'-P-C4' energy: -116.444
flat angles P-C4'-P energy: -73.735
tors. eta vs tors. theta energy: -146.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1658.038806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.038806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.038806 (E_RNA)
where:
Base-Base interactions energy: -1182.001
where: short stacking energy: -458.799
Base-Backbone interact. energy: -4.203
local terms energy: -471.834891
where:
bonds (distance) C4'-P energy: -91.568
bonds (distance) P-C4' energy: -92.349
flat angles C4'-P-C4' energy: -101.371
flat angles P-C4'-P energy: -68.126
tors. eta vs tors. theta energy: -118.420
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: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1646.881640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.881640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.881640 (E_RNA)
where:
Base-Base interactions energy: -1171.235
where: short stacking energy: -498.923
Base-Backbone interact. energy: -0.443
local terms energy: -475.204396
where:
bonds (distance) C4'-P energy: -71.650
bonds (distance) P-C4' energy: -86.874
flat angles C4'-P-C4' energy: -101.458
flat angles P-C4'-P energy: -72.124
tors. eta vs tors. theta energy: -143.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1576.779737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.779737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.779737 (E_RNA)
where:
Base-Base interactions energy: -1109.285
where: short stacking energy: -454.854
Base-Backbone interact. energy: -3.130
local terms energy: -464.364772
where:
bonds (distance) C4'-P energy: -86.602
bonds (distance) P-C4' energy: -85.606
flat angles C4'-P-C4' energy: -108.951
flat angles P-C4'-P energy: -64.784
tors. eta vs tors. theta energy: -118.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1459.800621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.800621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.800621 (E_RNA)
where:
Base-Base interactions energy: -1009.939
where: short stacking energy: -397.141
Base-Backbone interact. energy: 0.705
local terms energy: -450.566500
where:
bonds (distance) C4'-P energy: -86.773
bonds (distance) P-C4' energy: -86.911
flat angles C4'-P-C4' energy: -93.388
flat angles P-C4'-P energy: -68.207
tors. eta vs tors. theta energy: -115.287
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: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1379.231438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.231438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.231438 (E_RNA)
where:
Base-Base interactions energy: -943.821
where: short stacking energy: -402.927
Base-Backbone interact. energy: 0.244
local terms energy: -435.653582
where:
bonds (distance) C4'-P energy: -85.888
bonds (distance) P-C4' energy: -82.832
flat angles C4'-P-C4' energy: -89.637
flat angles P-C4'-P energy: -72.236
tors. eta vs tors. theta energy: -105.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1140.932225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.932225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.932225 (E_RNA)
where:
Base-Base interactions energy: -729.812
where: short stacking energy: -331.570
Base-Backbone interact. energy: 1.064
local terms energy: -412.183411
where:
bonds (distance) C4'-P energy: -88.329
bonds (distance) P-C4' energy: -86.990
flat angles C4'-P-C4' energy: -81.590
flat angles P-C4'-P energy: -73.529
tors. eta vs tors. theta energy: -81.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -834.767959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.767959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.767959 (E_RNA)
where:
Base-Base interactions energy: -479.213
where: short stacking energy: -203.641
Base-Backbone interact. energy: -0.272
local terms energy: -355.282788
where:
bonds (distance) C4'-P energy: -84.884
bonds (distance) P-C4' energy: -106.532
flat angles C4'-P-C4' energy: -85.054
flat angles P-C4'-P energy: -49.239
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: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -536.240612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.240612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.240612 (E_RNA)
where:
Base-Base interactions energy: -264.492
where: short stacking energy: -152.103
Base-Backbone interact. energy: 0.974
local terms energy: -272.722127
where:
bonds (distance) C4'-P energy: -89.174
bonds (distance) P-C4' energy: -75.220
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -47.813
tors. eta vs tors. theta energy: 0.805
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: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1852.709099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.709099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.709099 (E_RNA)
where:
Base-Base interactions energy: -1315.768
where: short stacking energy: -545.902
Base-Backbone interact. energy: 2.275
local terms energy: -539.215879
where:
bonds (distance) C4'-P energy: -101.380
bonds (distance) P-C4' energy: -95.160
flat angles C4'-P-C4' energy: -115.309
flat angles P-C4'-P energy: -78.089
tors. eta vs tors. theta energy: -149.278
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: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1763.334629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.334629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.334629 (E_RNA)
where:
Base-Base interactions energy: -1232.409
where: short stacking energy: -530.169
Base-Backbone interact. energy: -1.678
local terms energy: -529.248305
where:
bonds (distance) C4'-P energy: -93.296
bonds (distance) P-C4' energy: -103.374
flat angles C4'-P-C4' energy: -115.719
flat angles P-C4'-P energy: -72.802
tors. eta vs tors. theta energy: -144.056
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: 256
Temperature: 1.000000
Total energy: -1654.999546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.999546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.999546 (E_RNA)
where:
Base-Base interactions energy: -1158.400
where: short stacking energy: -476.972
Base-Backbone interact. energy: -0.436
local terms energy: -496.163894
where:
bonds (distance) C4'-P energy: -98.387
bonds (distance) P-C4' energy: -95.521
flat angles C4'-P-C4' energy: -107.365
flat angles P-C4'-P energy: -68.670
tors. eta vs tors. theta energy: -126.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1616.560984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.560984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.560984 (E_RNA)
where:
Base-Base interactions energy: -1133.297
where: short stacking energy: -460.889
Base-Backbone interact. energy: -1.626
local terms energy: -481.637873
where:
bonds (distance) C4'-P energy: -84.040
bonds (distance) P-C4' energy: -88.871
flat angles C4'-P-C4' energy: -109.317
flat angles P-C4'-P energy: -71.784
tors. eta vs tors. theta energy: -127.625
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: 256
Temperature: 1.100000
Total energy: -1508.780261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.780261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.780261 (E_RNA)
where:
Base-Base interactions energy: -1066.972
where: short stacking energy: -457.906
Base-Backbone interact. energy: -2.221
local terms energy: -439.587178
where:
bonds (distance) C4'-P energy: -73.376
bonds (distance) P-C4' energy: -85.939
flat angles C4'-P-C4' energy: -95.872
flat angles P-C4'-P energy: -66.378
tors. eta vs tors. theta energy: -118.022
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: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1503.802405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.802405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.802405 (E_RNA)
where:
Base-Base interactions energy: -1043.296
where: short stacking energy: -446.764
Base-Backbone interact. energy: -2.058
local terms energy: -458.448331
where:
bonds (distance) C4'-P energy: -89.819
bonds (distance) P-C4' energy: -72.908
flat angles C4'-P-C4' energy: -103.975
flat angles P-C4'-P energy: -78.318
tors. eta vs tors. theta energy: -113.429
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: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1369.777440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.777440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.777440 (E_RNA)
where:
Base-Base interactions energy: -967.710
where: short stacking energy: -414.036
Base-Backbone interact. energy: -1.798
local terms energy: -400.269966
where:
bonds (distance) C4'-P energy: -72.494
bonds (distance) P-C4' energy: -78.064
flat angles C4'-P-C4' energy: -94.687
flat angles P-C4'-P energy: -59.649
tors. eta vs tors. theta energy: -95.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1170.852485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.852485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.852485 (E_RNA)
where:
Base-Base interactions energy: -769.171
where: short stacking energy: -353.945
Base-Backbone interact. energy: -0.664
local terms energy: -401.018225
where:
bonds (distance) C4'-P energy: -83.376
bonds (distance) P-C4' energy: -94.449
flat angles C4'-P-C4' energy: -89.233
flat angles P-C4'-P energy: -58.871
tors. eta vs tors. theta energy: -75.089
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: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -861.583852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.583852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.583852 (E_RNA)
where:
Base-Base interactions energy: -514.463
where: short stacking energy: -254.162
Base-Backbone interact. energy: 1.269
local terms energy: -348.390294
where:
bonds (distance) C4'-P energy: -81.422
bonds (distance) P-C4' energy: -95.931
flat angles C4'-P-C4' energy: -79.317
flat angles P-C4'-P energy: -49.313
tors. eta vs tors. theta energy: -42.408
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: 256
Temperature: 1.350000
Total energy: -558.971409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.971409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.971409 (E_RNA)
where:
Base-Base interactions energy: -256.602
where: short stacking energy: -161.406
Base-Backbone interact. energy: -0.920
local terms energy: -301.449470
where:
bonds (distance) C4'-P energy: -89.902
bonds (distance) P-C4' energy: -82.610
flat angles C4'-P-C4' energy: -63.552
flat angles P-C4'-P energy: -62.017
tors. eta vs tors. theta energy: -3.368
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: 257
Temperature: 0.900000
Total energy: -1843.892415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.892415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.892415 (E_RNA)
where:
Base-Base interactions energy: -1298.375
where: short stacking energy: -522.582
Base-Backbone interact. energy: -1.395
local terms energy: -544.122547
where:
bonds (distance) C4'-P energy: -94.572
bonds (distance) P-C4' energy: -114.907
flat angles C4'-P-C4' energy: -115.544
flat angles P-C4'-P energy: -79.565
tors. eta vs tors. theta energy: -139.534
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: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1792.765284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.765284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.765284 (E_RNA)
where:
Base-Base interactions energy: -1253.274
where: short stacking energy: -538.524
Base-Backbone interact. energy: -1.924
local terms energy: -537.566897
where:
bonds (distance) C4'-P energy: -104.909
bonds (distance) P-C4' energy: -106.570
flat angles C4'-P-C4' energy: -109.919
flat angles P-C4'-P energy: -64.557
tors. eta vs tors. theta energy: -151.612
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: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1684.770062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.770062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.770062 (E_RNA)
where:
Base-Base interactions energy: -1204.538
where: short stacking energy: -452.098
Base-Backbone interact. energy: -0.906
local terms energy: -479.325652
where:
bonds (distance) C4'-P energy: -94.369
bonds (distance) P-C4' energy: -91.369
flat angles C4'-P-C4' energy: -112.331
flat angles P-C4'-P energy: -64.031
tors. eta vs tors. theta energy: -117.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1590.115790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.115790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.115790 (E_RNA)
where:
Base-Base interactions energy: -1126.701
where: short stacking energy: -449.814
Base-Backbone interact. energy: -1.448
local terms energy: -461.967202
where:
bonds (distance) C4'-P energy: -77.045
bonds (distance) P-C4' energy: -90.007
flat angles C4'-P-C4' energy: -111.548
flat angles P-C4'-P energy: -69.139
tors. eta vs tors. theta energy: -114.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1475.737126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.737126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.737126 (E_RNA)
where:
Base-Base interactions energy: -1036.377
where: short stacking energy: -431.084
Base-Backbone interact. energy: -2.974
local terms energy: -436.386215
where:
bonds (distance) C4'-P energy: -81.889
bonds (distance) P-C4' energy: -98.995
flat angles C4'-P-C4' energy: -89.772
flat angles P-C4'-P energy: -55.931
tors. eta vs tors. theta energy: -109.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1513.871339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.871339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.871339 (E_RNA)
where:
Base-Base interactions energy: -1063.487
where: short stacking energy: -438.405
Base-Backbone interact. energy: 3.901
local terms energy: -454.285842
where:
bonds (distance) C4'-P energy: -76.917
bonds (distance) P-C4' energy: -83.194
flat angles C4'-P-C4' energy: -102.169
flat angles P-C4'-P energy: -70.882
tors. eta vs tors. theta energy: -121.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1393.735548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.735548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.735548 (E_RNA)
where:
Base-Base interactions energy: -960.376
where: short stacking energy: -399.201
Base-Backbone interact. energy: 1.309
local terms energy: -434.669168
where:
bonds (distance) C4'-P energy: -87.563
bonds (distance) P-C4' energy: -89.346
flat angles C4'-P-C4' energy: -105.772
flat angles P-C4'-P energy: -56.099
tors. eta vs tors. theta energy: -95.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1147.759169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.759169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.759169 (E_RNA)
where:
Base-Base interactions energy: -766.373
where: short stacking energy: -360.772
Base-Backbone interact. energy: -3.229
local terms energy: -378.157209
where:
bonds (distance) C4'-P energy: -70.765
bonds (distance) P-C4' energy: -88.809
flat angles C4'-P-C4' energy: -86.631
flat angles P-C4'-P energy: -54.200
tors. eta vs tors. theta energy: -77.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -872.298037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.298037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.298037 (E_RNA)
where:
Base-Base interactions energy: -539.516
where: short stacking energy: -240.411
Base-Backbone interact. energy: 5.574
local terms energy: -338.355821
where:
bonds (distance) C4'-P energy: -79.858
bonds (distance) P-C4' energy: -88.593
flat angles C4'-P-C4' energy: -78.650
flat angles P-C4'-P energy: -52.935
tors. eta vs tors. theta energy: -38.320
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: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -547.394873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.394873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.394873 (E_RNA)
where:
Base-Base interactions energy: -284.445
where: short stacking energy: -181.484
Base-Backbone interact. energy: -1.501
local terms energy: -261.449196
where:
bonds (distance) C4'-P energy: -82.837
bonds (distance) P-C4' energy: -73.276
flat angles C4'-P-C4' energy: -70.348
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: 1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1840.099541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.099541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.099541 (E_RNA)
where:
Base-Base interactions energy: -1269.985
where: short stacking energy: -524.863
Base-Backbone interact. energy: -1.604
local terms energy: -568.511131
where:
bonds (distance) C4'-P energy: -111.447
bonds (distance) P-C4' energy: -108.753
flat angles C4'-P-C4' energy: -114.717
flat angles P-C4'-P energy: -78.065
tors. eta vs tors. theta energy: -155.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1803.025693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.025693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.025693 (E_RNA)
where:
Base-Base interactions energy: -1261.329
where: short stacking energy: -524.556
Base-Backbone interact. energy: -3.482
local terms energy: -538.215630
where:
bonds (distance) C4'-P energy: -85.472
bonds (distance) P-C4' energy: -107.779
flat angles C4'-P-C4' energy: -120.090
flat angles P-C4'-P energy: -77.656
tors. eta vs tors. theta energy: -147.219
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: 258
Temperature: 1.000000
Total energy: -1703.384436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.384436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.384436 (E_RNA)
where:
Base-Base interactions energy: -1219.492
where: short stacking energy: -493.652
Base-Backbone interact. energy: -2.107
local terms energy: -481.785039
where:
bonds (distance) C4'-P energy: -83.096
bonds (distance) P-C4' energy: -99.452
flat angles C4'-P-C4' energy: -111.970
flat angles P-C4'-P energy: -63.382
tors. eta vs tors. theta energy: -123.885
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: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1593.442337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.442337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.442337 (E_RNA)
where:
Base-Base interactions energy: -1106.296
where: short stacking energy: -470.679
Base-Backbone interact. energy: 1.221
local terms energy: -488.367381
where:
bonds (distance) C4'-P energy: -87.110
bonds (distance) P-C4' energy: -109.414
flat angles C4'-P-C4' energy: -99.437
flat angles P-C4'-P energy: -72.328
tors. eta vs tors. theta energy: -120.079
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: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1619.422308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.422308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.422308 (E_RNA)
where:
Base-Base interactions energy: -1140.118
where: short stacking energy: -470.836
Base-Backbone interact. energy: -1.147
local terms energy: -478.157340
where:
bonds (distance) C4'-P energy: -83.419
bonds (distance) P-C4' energy: -99.395
flat angles C4'-P-C4' energy: -105.250
flat angles P-C4'-P energy: -73.931
tors. eta vs tors. theta energy: -116.162
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: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1460.179625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.179625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.179625 (E_RNA)
where:
Base-Base interactions energy: -1014.694
where: short stacking energy: -418.223
Base-Backbone interact. energy: -1.064
local terms energy: -444.421387
where:
bonds (distance) C4'-P energy: -87.183
bonds (distance) P-C4' energy: -94.336
flat angles C4'-P-C4' energy: -90.993
flat angles P-C4'-P energy: -68.552
tors. eta vs tors. theta energy: -103.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1370.588419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.588419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.588419 (E_RNA)
where:
Base-Base interactions energy: -941.173
where: short stacking energy: -363.185
Base-Backbone interact. energy: -0.197
local terms energy: -429.218368
where:
bonds (distance) C4'-P energy: -76.750
bonds (distance) P-C4' energy: -94.771
flat angles C4'-P-C4' energy: -97.852
flat angles P-C4'-P energy: -65.389
tors. eta vs tors. theta energy: -94.457
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: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1135.015111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.015111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.015111 (E_RNA)
where:
Base-Base interactions energy: -751.667
where: short stacking energy: -327.004
Base-Backbone interact. energy: -1.585
local terms energy: -381.763700
where:
bonds (distance) C4'-P energy: -70.757
bonds (distance) P-C4' energy: -90.379
flat angles C4'-P-C4' energy: -97.298
flat angles P-C4'-P energy: -62.998
tors. eta vs tors. theta energy: -60.333
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: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -799.903320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.903320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.903320 (E_RNA)
where:
Base-Base interactions energy: -504.095
where: short stacking energy: -267.198
Base-Backbone interact. energy: -1.630
local terms energy: -294.178441
where:
bonds (distance) C4'-P energy: -70.885
bonds (distance) P-C4' energy: -64.515
flat angles C4'-P-C4' energy: -80.900
flat angles P-C4'-P energy: -37.996
tors. eta vs tors. theta energy: -39.882
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: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -573.836616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.836616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.836616 (E_RNA)
where:
Base-Base interactions energy: -276.984
where: short stacking energy: -155.532
Base-Backbone interact. energy: -1.199
local terms energy: -295.653549
where:
bonds (distance) C4'-P energy: -84.151
bonds (distance) P-C4' energy: -91.822
flat angles C4'-P-C4' energy: -82.577
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: 2.723
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: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1837.432043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.432043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.432043 (E_RNA)
where:
Base-Base interactions energy: -1272.627
where: short stacking energy: -555.606
Base-Backbone interact. energy: -1.141
local terms energy: -563.664491
where:
bonds (distance) C4'-P energy: -91.186
bonds (distance) P-C4' energy: -115.889
flat angles C4'-P-C4' energy: -114.750
flat angles P-C4'-P energy: -77.920
tors. eta vs tors. theta energy: -163.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1810.437147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.437147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.437147 (E_RNA)
where:
Base-Base interactions energy: -1281.107
where: short stacking energy: -531.752
Base-Backbone interact. energy: -0.308
local terms energy: -529.021558
where:
bonds (distance) C4'-P energy: -103.503
bonds (distance) P-C4' energy: -106.586
flat angles C4'-P-C4' energy: -96.924
flat angles P-C4'-P energy: -75.874
tors. eta vs tors. theta energy: -146.135
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: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1714.259396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.259396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.259396 (E_RNA)
where:
Base-Base interactions energy: -1201.400
where: short stacking energy: -495.175
Base-Backbone interact. energy: -1.600
local terms energy: -511.259093
where:
bonds (distance) C4'-P energy: -105.427
bonds (distance) P-C4' energy: -98.677
flat angles C4'-P-C4' energy: -107.163
flat angles P-C4'-P energy: -69.326
tors. eta vs tors. theta energy: -130.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1634.293861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.293861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.293861 (E_RNA)
where:
Base-Base interactions energy: -1144.054
where: short stacking energy: -468.135
Base-Backbone interact. energy: 0.529
local terms energy: -490.768095
where:
bonds (distance) C4'-P energy: -106.394
bonds (distance) P-C4' energy: -88.814
flat angles C4'-P-C4' energy: -107.613
flat angles P-C4'-P energy: -68.035
tors. eta vs tors. theta energy: -119.912
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: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1590.560366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.560366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.560366 (E_RNA)
where:
Base-Base interactions energy: -1105.233
where: short stacking energy: -458.710
Base-Backbone interact. energy: -3.363
local terms energy: -481.963649
where:
bonds (distance) C4'-P energy: -82.219
bonds (distance) P-C4' energy: -93.516
flat angles C4'-P-C4' energy: -115.653
flat angles P-C4'-P energy: -73.459
tors. eta vs tors. theta energy: -117.116
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: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1464.292989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.292989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.292989 (E_RNA)
where:
Base-Base interactions energy: -1037.691
where: short stacking energy: -401.519
Base-Backbone interact. energy: 0.438
local terms energy: -427.039736
where:
bonds (distance) C4'-P energy: -77.455
bonds (distance) P-C4' energy: -80.302
flat angles C4'-P-C4' energy: -96.218
flat angles P-C4'-P energy: -75.083
tors. eta vs tors. theta energy: -97.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1327.117858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.117858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.117858 (E_RNA)
where:
Base-Base interactions energy: -882.999
where: short stacking energy: -368.927
Base-Backbone interact. energy: 0.711
local terms energy: -444.829716
where:
bonds (distance) C4'-P energy: -91.191
bonds (distance) P-C4' energy: -83.411
flat angles C4'-P-C4' energy: -97.294
flat angles P-C4'-P energy: -76.554
tors. eta vs tors. theta energy: -96.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1149.259990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.259990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.259990 (E_RNA)
where:
Base-Base interactions energy: -745.748
where: short stacking energy: -338.929
Base-Backbone interact. energy: 3.856
local terms energy: -407.367071
where:
bonds (distance) C4'-P energy: -90.159
bonds (distance) P-C4' energy: -88.886
flat angles C4'-P-C4' energy: -102.912
flat angles P-C4'-P energy: -57.554
tors. eta vs tors. theta energy: -67.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -839.553582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.553582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.553582 (E_RNA)
where:
Base-Base interactions energy: -465.054
where: short stacking energy: -223.129
Base-Backbone interact. energy: -1.323
local terms energy: -373.176608
where:
bonds (distance) C4'-P energy: -97.809
bonds (distance) P-C4' energy: -92.776
flat angles C4'-P-C4' energy: -89.292
flat angles P-C4'-P energy: -63.710
tors. eta vs tors. theta energy: -29.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -585.270545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.270545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.270545 (E_RNA)
where:
Base-Base interactions energy: -314.120
where: short stacking energy: -185.623
Base-Backbone interact. energy: -0.896
local terms energy: -270.254887
where:
bonds (distance) C4'-P energy: -73.259
bonds (distance) P-C4' energy: -78.024
flat angles C4'-P-C4' energy: -63.457
flat angles P-C4'-P energy: -37.373
tors. eta vs tors. theta energy: -18.142
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: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1829.698481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.698481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.698481 (E_RNA)
where:
Base-Base interactions energy: -1281.067
where: short stacking energy: -543.199
Base-Backbone interact. energy: -1.216
local terms energy: -547.415314
where:
bonds (distance) C4'-P energy: -102.165
bonds (distance) P-C4' energy: -97.646
flat angles C4'-P-C4' energy: -121.735
flat angles P-C4'-P energy: -72.043
tors. eta vs tors. theta energy: -153.827
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: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1787.468487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.468487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.468487 (E_RNA)
where:
Base-Base interactions energy: -1273.058
where: short stacking energy: -521.352
Base-Backbone interact. energy: -2.696
local terms energy: -511.714720
where:
bonds (distance) C4'-P energy: -86.793
bonds (distance) P-C4' energy: -101.896
flat angles C4'-P-C4' energy: -111.701
flat angles P-C4'-P energy: -70.454
tors. eta vs tors. theta energy: -140.871
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: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1691.344629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.344629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.344629 (E_RNA)
where:
Base-Base interactions energy: -1193.936
where: short stacking energy: -474.030
Base-Backbone interact. energy: -2.046
local terms energy: -495.363292
where:
bonds (distance) C4'-P energy: -96.090
bonds (distance) P-C4' energy: -96.409
flat angles C4'-P-C4' energy: -109.263
flat angles P-C4'-P energy: -75.592
tors. eta vs tors. theta energy: -118.009
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: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1622.167050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.167050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.167050 (E_RNA)
where:
Base-Base interactions energy: -1129.040
where: short stacking energy: -451.705
Base-Backbone interact. energy: -1.445
local terms energy: -491.682044
where:
bonds (distance) C4'-P energy: -84.249
bonds (distance) P-C4' energy: -95.199
flat angles C4'-P-C4' energy: -113.234
flat angles P-C4'-P energy: -73.318
tors. eta vs tors. theta energy: -125.682
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: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1553.978874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.978874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.978874 (E_RNA)
where:
Base-Base interactions energy: -1063.745
where: short stacking energy: -455.125
Base-Backbone interact. energy: -2.181
local terms energy: -488.053229
where:
bonds (distance) C4'-P energy: -97.220
bonds (distance) P-C4' energy: -96.805
flat angles C4'-P-C4' energy: -108.228
flat angles P-C4'-P energy: -68.304
tors. eta vs tors. theta energy: -117.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1490.230421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.230421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.230421 (E_RNA)
where:
Base-Base interactions energy: -1045.403
where: short stacking energy: -423.780
Base-Backbone interact. energy: 2.047
local terms energy: -446.874376
where:
bonds (distance) C4'-P energy: -89.241
bonds (distance) P-C4' energy: -92.338
flat angles C4'-P-C4' energy: -102.612
flat angles P-C4'-P energy: -63.500
tors. eta vs tors. theta energy: -99.183
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: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1384.542512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.542512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.542512 (E_RNA)
where:
Base-Base interactions energy: -970.074
where: short stacking energy: -413.132
Base-Backbone interact. energy: -2.255
local terms energy: -412.213254
where:
bonds (distance) C4'-P energy: -79.477
bonds (distance) P-C4' energy: -80.866
flat angles C4'-P-C4' energy: -87.636
flat angles P-C4'-P energy: -61.359
tors. eta vs tors. theta energy: -102.875
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: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1106.275728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.275728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.275728 (E_RNA)
where:
Base-Base interactions energy: -727.733
where: short stacking energy: -305.716
Base-Backbone interact. energy: -2.465
local terms energy: -376.076949
where:
bonds (distance) C4'-P energy: -86.592
bonds (distance) P-C4' energy: -86.722
flat angles C4'-P-C4' energy: -82.323
flat angles P-C4'-P energy: -68.249
tors. eta vs tors. theta energy: -52.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -889.170034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.170034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.170034 (E_RNA)
where:
Base-Base interactions energy: -555.498
where: short stacking energy: -257.536
Base-Backbone interact. energy: 0.274
local terms energy: -333.946041
where:
bonds (distance) C4'-P energy: -73.420
bonds (distance) P-C4' energy: -89.941
flat angles C4'-P-C4' energy: -82.052
flat angles P-C4'-P energy: -49.479
tors. eta vs tors. theta energy: -39.055
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: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -581.704250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.704250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.704250 (E_RNA)
where:
Base-Base interactions energy: -308.424
where: short stacking energy: -162.715
Base-Backbone interact. energy: -2.724
local terms energy: -270.556738
where:
bonds (distance) C4'-P energy: -68.979
bonds (distance) P-C4' energy: -86.712
flat angles C4'-P-C4' energy: -78.766
flat angles P-C4'-P energy: -40.399
tors. eta vs tors. theta energy: 4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1843.898628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.898628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.898628 (E_RNA)
where:
Base-Base interactions energy: -1288.399
where: short stacking energy: -555.475
Base-Backbone interact. energy: -4.309
local terms energy: -551.190606
where:
bonds (distance) C4'-P energy: -95.257
bonds (distance) P-C4' energy: -105.444
flat angles C4'-P-C4' energy: -111.510
flat angles P-C4'-P energy: -78.831
tors. eta vs tors. theta energy: -160.148
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: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1779.964673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.964673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.964673 (E_RNA)
where:
Base-Base interactions energy: -1259.989
where: short stacking energy: -523.213
Base-Backbone interact. energy: -2.802
local terms energy: -517.173240
where:
bonds (distance) C4'-P energy: -94.463
bonds (distance) P-C4' energy: -105.100
flat angles C4'-P-C4' energy: -100.609
flat angles P-C4'-P energy: -73.934
tors. eta vs tors. theta energy: -143.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1679.576727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.576727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.576727 (E_RNA)
where:
Base-Base interactions energy: -1161.851
where: short stacking energy: -455.393
Base-Backbone interact. energy: -2.398
local terms energy: -515.327749
where:
bonds (distance) C4'-P energy: -110.989
bonds (distance) P-C4' energy: -93.143
flat angles C4'-P-C4' energy: -122.349
flat angles P-C4'-P energy: -74.855
tors. eta vs tors. theta energy: -113.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1647.606241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.606241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.606241 (E_RNA)
where:
Base-Base interactions energy: -1136.458
where: short stacking energy: -471.819
Base-Backbone interact. energy: 2.586
local terms energy: -513.733969
where:
bonds (distance) C4'-P energy: -87.202
bonds (distance) P-C4' energy: -98.102
flat angles C4'-P-C4' energy: -113.341
flat angles P-C4'-P energy: -80.568
tors. eta vs tors. theta energy: -134.521
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: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1576.223931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.223931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.223931 (E_RNA)
where:
Base-Base interactions energy: -1098.330
where: short stacking energy: -440.325
Base-Backbone interact. energy: -2.406
local terms energy: -475.487640
where:
bonds (distance) C4'-P energy: -93.369
bonds (distance) P-C4' energy: -98.833
flat angles C4'-P-C4' energy: -108.370
flat angles P-C4'-P energy: -61.150
tors. eta vs tors. theta energy: -113.765
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: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1458.135761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.135761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.135761 (E_RNA)
where:
Base-Base interactions energy: -1015.768
where: short stacking energy: -398.456
Base-Backbone interact. energy: -3.400
local terms energy: -438.967624
where:
bonds (distance) C4'-P energy: -92.517
bonds (distance) P-C4' energy: -96.822
flat angles C4'-P-C4' energy: -88.404
flat angles P-C4'-P energy: -59.518
tors. eta vs tors. theta energy: -101.707
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: 261
Temperature: 1.200000
Total energy: -1354.880511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.880511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.880511 (E_RNA)
where:
Base-Base interactions energy: -938.820
where: short stacking energy: -401.514
Base-Backbone interact. energy: -3.326
local terms energy: -412.733681
where:
bonds (distance) C4'-P energy: -82.092
bonds (distance) P-C4' energy: -73.141
flat angles C4'-P-C4' energy: -85.836
flat angles P-C4'-P energy: -69.973
tors. eta vs tors. theta energy: -101.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1077.152046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.152046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.152046 (E_RNA)
where:
Base-Base interactions energy: -700.588
where: short stacking energy: -307.121
Base-Backbone interact. energy: -2.802
local terms energy: -373.761928
where:
bonds (distance) C4'-P energy: -93.896
bonds (distance) P-C4' energy: -97.267
flat angles C4'-P-C4' energy: -81.025
flat angles P-C4'-P energy: -38.212
tors. eta vs tors. theta energy: -63.362
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: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -894.459967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.459967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.459967 (E_RNA)
where:
Base-Base interactions energy: -587.261
where: short stacking energy: -280.806
Base-Backbone interact. energy: -1.406
local terms energy: -305.793225
where:
bonds (distance) C4'-P energy: -71.007
bonds (distance) P-C4' energy: -67.521
flat angles C4'-P-C4' energy: -77.741
flat angles P-C4'-P energy: -42.357
tors. eta vs tors. theta energy: -47.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -550.279827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.279827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.279827 (E_RNA)
where:
Base-Base interactions energy: -259.880
where: short stacking energy: -140.987
Base-Backbone interact. energy: -2.948
local terms energy: -287.451272
where:
bonds (distance) C4'-P energy: -78.187
bonds (distance) P-C4' energy: -97.296
flat angles C4'-P-C4' energy: -73.617
flat angles P-C4'-P energy: -41.051
tors. eta vs tors. theta energy: 2.700
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: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1819.601792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.601792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.601792 (E_RNA)
where:
Base-Base interactions energy: -1269.239
where: short stacking energy: -537.026
Base-Backbone interact. energy: -2.293
local terms energy: -548.069826
where:
bonds (distance) C4'-P energy: -93.764
bonds (distance) P-C4' energy: -102.869
flat angles C4'-P-C4' energy: -120.759
flat angles P-C4'-P energy: -73.425
tors. eta vs tors. theta energy: -157.252
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: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1777.040717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.040717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.040717 (E_RNA)
where:
Base-Base interactions energy: -1260.575
where: short stacking energy: -497.787
Base-Backbone interact. energy: -3.197
local terms energy: -513.268567
where:
bonds (distance) C4'-P energy: -97.062
bonds (distance) P-C4' energy: -103.608
flat angles C4'-P-C4' energy: -96.036
flat angles P-C4'-P energy: -82.686
tors. eta vs tors. theta energy: -133.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1722.657429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.657429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.657429 (E_RNA)
where:
Base-Base interactions energy: -1231.584
where: short stacking energy: -483.643
Base-Backbone interact. energy: -2.902
local terms energy: -488.171781
where:
bonds (distance) C4'-P energy: -88.708
bonds (distance) P-C4' energy: -101.418
flat angles C4'-P-C4' energy: -111.027
flat angles P-C4'-P energy: -70.484
tors. eta vs tors. theta energy: -116.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1657.250690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.250690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.250690 (E_RNA)
where:
Base-Base interactions energy: -1179.204
where: short stacking energy: -467.671
Base-Backbone interact. energy: -3.016
local terms energy: -475.030760
where:
bonds (distance) C4'-P energy: -77.514
bonds (distance) P-C4' energy: -89.827
flat angles C4'-P-C4' energy: -115.281
flat angles P-C4'-P energy: -67.232
tors. eta vs tors. theta energy: -125.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1520.506471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.506471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.506471 (E_RNA)
where:
Base-Base interactions energy: -1059.050
where: short stacking energy: -444.903
Base-Backbone interact. energy: 2.441
local terms energy: -463.896952
where:
bonds (distance) C4'-P energy: -87.540
bonds (distance) P-C4' energy: -95.149
flat angles C4'-P-C4' energy: -100.004
flat angles P-C4'-P energy: -59.912
tors. eta vs tors. theta energy: -121.293
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: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1473.848105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.848105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.848105 (E_RNA)
where:
Base-Base interactions energy: -1056.080
where: short stacking energy: -401.843
Base-Backbone interact. energy: 0.368
local terms energy: -418.136908
where:
bonds (distance) C4'-P energy: -68.727
bonds (distance) P-C4' energy: -80.750
flat angles C4'-P-C4' energy: -103.072
flat angles P-C4'-P energy: -62.183
tors. eta vs tors. theta energy: -103.406
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: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1309.701023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.701023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.701023 (E_RNA)
where:
Base-Base interactions energy: -912.980
where: short stacking energy: -376.185
Base-Backbone interact. energy: -1.253
local terms energy: -395.468345
where:
bonds (distance) C4'-P energy: -67.972
bonds (distance) P-C4' energy: -95.789
flat angles C4'-P-C4' energy: -90.449
flat angles P-C4'-P energy: -56.588
tors. eta vs tors. theta energy: -84.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1179.310273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.310273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.310273 (E_RNA)
where:
Base-Base interactions energy: -809.116
where: short stacking energy: -357.808
Base-Backbone interact. energy: -2.016
local terms energy: -368.178612
where:
bonds (distance) C4'-P energy: -79.427
bonds (distance) P-C4' energy: -69.648
flat angles C4'-P-C4' energy: -102.585
flat angles P-C4'-P energy: -45.291
tors. eta vs tors. theta energy: -71.228
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: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -909.200031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.200031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.200031 (E_RNA)
where:
Base-Base interactions energy: -541.092
where: short stacking energy: -254.416
Base-Backbone interact. energy: -2.456
local terms energy: -365.652374
where:
bonds (distance) C4'-P energy: -80.672
bonds (distance) P-C4' energy: -103.710
flat angles C4'-P-C4' energy: -91.452
flat angles P-C4'-P energy: -50.073
tors. eta vs tors. theta energy: -39.745
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: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -548.875819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.875819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.875819 (E_RNA)
where:
Base-Base interactions energy: -270.761
where: short stacking energy: -157.744
Base-Backbone interact. energy: 1.381
local terms energy: -279.495753
where:
bonds (distance) C4'-P energy: -78.040
bonds (distance) P-C4' energy: -91.193
flat angles C4'-P-C4' energy: -75.340
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: 8.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1813.094705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.094705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.094705 (E_RNA)
where:
Base-Base interactions energy: -1251.145
where: short stacking energy: -547.049
Base-Backbone interact. energy: -0.787
local terms energy: -561.162707
where:
bonds (distance) C4'-P energy: -95.004
bonds (distance) P-C4' energy: -98.108
flat angles C4'-P-C4' energy: -116.723
flat angles P-C4'-P energy: -88.061
tors. eta vs tors. theta energy: -163.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1799.844237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.844237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.844237 (E_RNA)
where:
Base-Base interactions energy: -1259.942
where: short stacking energy: -508.362
Base-Backbone interact. energy: 0.948
local terms energy: -540.850208
where:
bonds (distance) C4'-P energy: -108.630
bonds (distance) P-C4' energy: -109.057
flat angles C4'-P-C4' energy: -101.736
flat angles P-C4'-P energy: -81.280
tors. eta vs tors. theta energy: -140.148
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: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1703.393247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.393247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.393247 (E_RNA)
where:
Base-Base interactions energy: -1198.168
where: short stacking energy: -484.521
Base-Backbone interact. energy: -0.600
local terms energy: -504.625401
where:
bonds (distance) C4'-P energy: -91.345
bonds (distance) P-C4' energy: -93.253
flat angles C4'-P-C4' energy: -118.681
flat angles P-C4'-P energy: -70.954
tors. eta vs tors. theta energy: -130.393
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: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1659.849786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.849786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.849786 (E_RNA)
where:
Base-Base interactions energy: -1166.832
where: short stacking energy: -476.421
Base-Backbone interact. energy: 0.875
local terms energy: -493.893022
where:
bonds (distance) C4'-P energy: -100.487
bonds (distance) P-C4' energy: -90.224
flat angles C4'-P-C4' energy: -96.570
flat angles P-C4'-P energy: -76.478
tors. eta vs tors. theta energy: -130.133
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: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1528.345306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.345306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.345306 (E_RNA)
where:
Base-Base interactions energy: -1047.989
where: short stacking energy: -409.223
Base-Backbone interact. energy: -1.560
local terms energy: -478.796201
where:
bonds (distance) C4'-P energy: -95.238
bonds (distance) P-C4' energy: -103.976
flat angles C4'-P-C4' energy: -106.523
flat angles P-C4'-P energy: -65.525
tors. eta vs tors. theta energy: -107.534
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: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1442.386535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.386535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.386535 (E_RNA)
where:
Base-Base interactions energy: -986.712
where: short stacking energy: -407.159
Base-Backbone interact. energy: -3.916
local terms energy: -451.758797
where:
bonds (distance) C4'-P energy: -95.928
bonds (distance) P-C4' energy: -90.542
flat angles C4'-P-C4' energy: -104.999
flat angles P-C4'-P energy: -61.590
tors. eta vs tors. theta energy: -98.700
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: 263
Temperature: 1.200000
Total energy: -1295.600128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.600128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.600128 (E_RNA)
where:
Base-Base interactions energy: -898.359
where: short stacking energy: -400.175
Base-Backbone interact. energy: -1.391
local terms energy: -395.850423
where:
bonds (distance) C4'-P energy: -89.213
bonds (distance) P-C4' energy: -93.425
flat angles C4'-P-C4' energy: -91.973
flat angles P-C4'-P energy: -48.047
tors. eta vs tors. theta energy: -73.192
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: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1198.385642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.385642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.385642 (E_RNA)
where:
Base-Base interactions energy: -807.328
where: short stacking energy: -339.178
Base-Backbone interact. energy: 1.945
local terms energy: -393.003095
where:
bonds (distance) C4'-P energy: -77.313
bonds (distance) P-C4' energy: -87.794
flat angles C4'-P-C4' energy: -101.463
flat angles P-C4'-P energy: -56.435
tors. eta vs tors. theta energy: -69.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -867.139826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.139826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.139826 (E_RNA)
where:
Base-Base interactions energy: -532.417
where: short stacking energy: -240.447
Base-Backbone interact. energy: -2.733
local terms energy: -331.989587
where:
bonds (distance) C4'-P energy: -84.762
bonds (distance) P-C4' energy: -88.953
flat angles C4'-P-C4' energy: -80.013
flat angles P-C4'-P energy: -36.485
tors. eta vs tors. theta energy: -41.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -601.785178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.785178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.785178 (E_RNA)
where:
Base-Base interactions energy: -305.854
where: short stacking energy: -176.910
Base-Backbone interact. energy: -2.516
local terms energy: -293.415466
where:
bonds (distance) C4'-P energy: -71.403
bonds (distance) P-C4' energy: -85.893
flat angles C4'-P-C4' energy: -90.421
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: -2.401
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: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1808.482067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.482067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.482067 (E_RNA)
where:
Base-Base interactions energy: -1264.464
where: short stacking energy: -531.242
Base-Backbone interact. energy: -3.363
local terms energy: -540.654527
where:
bonds (distance) C4'-P energy: -90.155
bonds (distance) P-C4' energy: -105.828
flat angles C4'-P-C4' energy: -114.028
flat angles P-C4'-P energy: -73.759
tors. eta vs tors. theta energy: -156.885
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: 264
Temperature: 0.950000
Total energy: -1790.375629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.375629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.375629 (E_RNA)
where:
Base-Base interactions energy: -1274.132
where: short stacking energy: -503.710
Base-Backbone interact. energy: -1.551
local terms energy: -514.692698
where:
bonds (distance) C4'-P energy: -98.813
bonds (distance) P-C4' energy: -107.382
flat angles C4'-P-C4' energy: -107.185
flat angles P-C4'-P energy: -71.690
tors. eta vs tors. theta energy: -129.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1707.107444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.107444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.107444 (E_RNA)
where:
Base-Base interactions energy: -1208.516
where: short stacking energy: -470.269
Base-Backbone interact. energy: -2.478
local terms energy: -496.113197
where:
bonds (distance) C4'-P energy: -80.566
bonds (distance) P-C4' energy: -109.424
flat angles C4'-P-C4' energy: -112.553
flat angles P-C4'-P energy: -67.548
tors. eta vs tors. theta energy: -126.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1611.228575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.228575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.228575 (E_RNA)
where:
Base-Base interactions energy: -1101.962
where: short stacking energy: -454.119
Base-Backbone interact. energy: -2.496
local terms energy: -506.770711
where:
bonds (distance) C4'-P energy: -90.092
bonds (distance) P-C4' energy: -109.695
flat angles C4'-P-C4' energy: -112.121
flat angles P-C4'-P energy: -64.849
tors. eta vs tors. theta energy: -130.012
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: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1541.252961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.252961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.252961 (E_RNA)
where:
Base-Base interactions energy: -1087.357
where: short stacking energy: -462.281
Base-Backbone interact. energy: -1.489
local terms energy: -452.406635
where:
bonds (distance) C4'-P energy: -83.711
bonds (distance) P-C4' energy: -87.038
flat angles C4'-P-C4' energy: -92.846
flat angles P-C4'-P energy: -68.636
tors. eta vs tors. theta energy: -120.176
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: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1473.347207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.347207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.347207 (E_RNA)
where:
Base-Base interactions energy: -1022.971
where: short stacking energy: -434.617
Base-Backbone interact. energy: 1.839
local terms energy: -452.215507
where:
bonds (distance) C4'-P energy: -79.519
bonds (distance) P-C4' energy: -92.665
flat angles C4'-P-C4' energy: -104.090
flat angles P-C4'-P energy: -74.475
tors. eta vs tors. theta energy: -101.466
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: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1275.308847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.308847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.308847 (E_RNA)
where:
Base-Base interactions energy: -858.563
where: short stacking energy: -358.651
Base-Backbone interact. energy: 7.774
local terms energy: -424.519339
where:
bonds (distance) C4'-P energy: -92.309
bonds (distance) P-C4' energy: -90.773
flat angles C4'-P-C4' energy: -95.948
flat angles P-C4'-P energy: -62.275
tors. eta vs tors. theta energy: -83.214
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: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1209.425830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.425830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.425830 (E_RNA)
where:
Base-Base interactions energy: -839.654
where: short stacking energy: -358.860
Base-Backbone interact. energy: 1.182
local terms energy: -370.953623
where:
bonds (distance) C4'-P energy: -86.346
bonds (distance) P-C4' energy: -84.573
flat angles C4'-P-C4' energy: -61.494
flat angles P-C4'-P energy: -56.248
tors. eta vs tors. theta energy: -82.293
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: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -875.868420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.868420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.868420 (E_RNA)
where:
Base-Base interactions energy: -551.033
where: short stacking energy: -252.327
Base-Backbone interact. energy: -1.719
local terms energy: -323.115850
where:
bonds (distance) C4'-P energy: -67.055
bonds (distance) P-C4' energy: -94.082
flat angles C4'-P-C4' energy: -91.242
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -33.874
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: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -567.442211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.442211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.442211 (E_RNA)
where:
Base-Base interactions energy: -267.661
where: short stacking energy: -147.922
Base-Backbone interact. energy: 0.676
local terms energy: -300.457771
where:
bonds (distance) C4'-P energy: -92.477
bonds (distance) P-C4' energy: -101.590
flat angles C4'-P-C4' energy: -64.582
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -1.620
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: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1812.810667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.810667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.810667 (E_RNA)
where:
Base-Base interactions energy: -1249.472
where: short stacking energy: -539.982
Base-Backbone interact. energy: -1.183
local terms energy: -562.155036
where:
bonds (distance) C4'-P energy: -106.578
bonds (distance) P-C4' energy: -107.531
flat angles C4'-P-C4' energy: -115.125
flat angles P-C4'-P energy: -78.413
tors. eta vs tors. theta energy: -154.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1782.340669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.340669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.340669 (E_RNA)
where:
Base-Base interactions energy: -1271.912
where: short stacking energy: -508.748
Base-Backbone interact. energy: -3.376
local terms energy: -507.052977
where:
bonds (distance) C4'-P energy: -106.938
bonds (distance) P-C4' energy: -95.601
flat angles C4'-P-C4' energy: -109.850
flat angles P-C4'-P energy: -68.650
tors. eta vs tors. theta energy: -126.014
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: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1715.339317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.339317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.339317 (E_RNA)
where:
Base-Base interactions energy: -1191.019
where: short stacking energy: -503.058
Base-Backbone interact. energy: -3.499
local terms energy: -520.821932
where:
bonds (distance) C4'-P energy: -98.482
bonds (distance) P-C4' energy: -92.984
flat angles C4'-P-C4' energy: -115.900
flat angles P-C4'-P energy: -78.606
tors. eta vs tors. theta energy: -134.850
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: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1620.357435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.357435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.357435 (E_RNA)
where:
Base-Base interactions energy: -1121.685
where: short stacking energy: -477.207
Base-Backbone interact. energy: -2.476
local terms energy: -496.196268
where:
bonds (distance) C4'-P energy: -103.191
bonds (distance) P-C4' energy: -82.503
flat angles C4'-P-C4' energy: -106.933
flat angles P-C4'-P energy: -70.306
tors. eta vs tors. theta energy: -133.263
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: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1552.652494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.652494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.652494 (E_RNA)
where:
Base-Base interactions energy: -1066.739
where: short stacking energy: -418.615
Base-Backbone interact. energy: -3.379
local terms energy: -482.534632
where:
bonds (distance) C4'-P energy: -88.515
bonds (distance) P-C4' energy: -98.491
flat angles C4'-P-C4' energy: -114.714
flat angles P-C4'-P energy: -66.029
tors. eta vs tors. theta energy: -114.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1480.347332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.347332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.347332 (E_RNA)
where:
Base-Base interactions energy: -1027.549
where: short stacking energy: -415.604
Base-Backbone interact. energy: 0.587
local terms energy: -453.385591
where:
bonds (distance) C4'-P energy: -79.648
bonds (distance) P-C4' energy: -101.618
flat angles C4'-P-C4' energy: -99.206
flat angles P-C4'-P energy: -70.402
tors. eta vs tors. theta energy: -102.512
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: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1282.179923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.179923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.179923 (E_RNA)
where:
Base-Base interactions energy: -886.506
where: short stacking energy: -360.896
Base-Backbone interact. energy: -1.150
local terms energy: -394.524268
where:
bonds (distance) C4'-P energy: -75.483
bonds (distance) P-C4' energy: -91.147
flat angles C4'-P-C4' energy: -86.929
flat angles P-C4'-P energy: -53.354
tors. eta vs tors. theta energy: -87.611
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: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1266.057327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.057327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.057327 (E_RNA)
where:
Base-Base interactions energy: -850.774
where: short stacking energy: -378.389
Base-Backbone interact. energy: -5.168
local terms energy: -410.115312
where:
bonds (distance) C4'-P energy: -93.756
bonds (distance) P-C4' energy: -77.375
flat angles C4'-P-C4' energy: -85.084
flat angles P-C4'-P energy: -58.617
tors. eta vs tors. theta energy: -95.284
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: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -881.092263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.092263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.092263 (E_RNA)
where:
Base-Base interactions energy: -529.530
where: short stacking energy: -222.429
Base-Backbone interact. energy: -1.539
local terms energy: -350.023614
where:
bonds (distance) C4'-P energy: -82.038
bonds (distance) P-C4' energy: -92.804
flat angles C4'-P-C4' energy: -82.386
flat angles P-C4'-P energy: -60.281
tors. eta vs tors. theta energy: -32.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -554.301197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.301197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.301197 (E_RNA)
where:
Base-Base interactions energy: -270.458
where: short stacking energy: -159.402
Base-Backbone interact. energy: 8.996
local terms energy: -292.839423
where:
bonds (distance) C4'-P energy: -77.201
bonds (distance) P-C4' energy: -82.311
flat angles C4'-P-C4' energy: -87.804
flat angles P-C4'-P energy: -38.395
tors. eta vs tors. theta energy: -7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1833.669798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.669798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.669798 (E_RNA)
where:
Base-Base interactions energy: -1306.227
where: short stacking energy: -523.801
Base-Backbone interact. energy: -2.619
local terms energy: -524.824084
where:
bonds (distance) C4'-P energy: -88.265
bonds (distance) P-C4' energy: -109.897
flat angles C4'-P-C4' energy: -113.117
flat angles P-C4'-P energy: -67.313
tors. eta vs tors. theta energy: -146.232
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: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1772.782144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.782144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.782144 (E_RNA)
where:
Base-Base interactions energy: -1224.364
where: short stacking energy: -529.430
Base-Backbone interact. energy: -0.623
local terms energy: -547.795700
where:
bonds (distance) C4'-P energy: -101.221
bonds (distance) P-C4' energy: -99.032
flat angles C4'-P-C4' energy: -121.459
flat angles P-C4'-P energy: -76.589
tors. eta vs tors. theta energy: -149.494
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: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1713.311998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.311998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.311998 (E_RNA)
where:
Base-Base interactions energy: -1214.137
where: short stacking energy: -492.665
Base-Backbone interact. energy: -3.580
local terms energy: -495.594090
where:
bonds (distance) C4'-P energy: -103.785
bonds (distance) P-C4' energy: -94.116
flat angles C4'-P-C4' energy: -108.828
flat angles P-C4'-P energy: -69.291
tors. eta vs tors. theta energy: -119.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1629.412917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.412917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.412917 (E_RNA)
where:
Base-Base interactions energy: -1153.051
where: short stacking energy: -485.782
Base-Backbone interact. energy: 3.155
local terms energy: -479.517186
where:
bonds (distance) C4'-P energy: -94.929
bonds (distance) P-C4' energy: -91.094
flat angles C4'-P-C4' energy: -108.485
flat angles P-C4'-P energy: -69.291
tors. eta vs tors. theta energy: -115.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1529.372889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.372889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.372889 (E_RNA)
where:
Base-Base interactions energy: -1072.166
where: short stacking energy: -440.457
Base-Backbone interact. energy: -1.822
local terms energy: -455.385361
where:
bonds (distance) C4'-P energy: -81.860
bonds (distance) P-C4' energy: -99.436
flat angles C4'-P-C4' energy: -105.266
flat angles P-C4'-P energy: -56.567
tors. eta vs tors. theta energy: -112.256
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: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1446.388477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.388477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.388477 (E_RNA)
where:
Base-Base interactions energy: -1009.550
where: short stacking energy: -394.187
Base-Backbone interact. energy: -3.850
local terms energy: -432.988029
where:
bonds (distance) C4'-P energy: -95.380
bonds (distance) P-C4' energy: -76.650
flat angles C4'-P-C4' energy: -106.834
flat angles P-C4'-P energy: -57.869
tors. eta vs tors. theta energy: -96.254
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: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1332.475589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.475589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.475589 (E_RNA)
where:
Base-Base interactions energy: -920.805
where: short stacking energy: -382.410
Base-Backbone interact. energy: -3.705
local terms energy: -407.965206
where:
bonds (distance) C4'-P energy: -80.577
bonds (distance) P-C4' energy: -84.399
flat angles C4'-P-C4' energy: -98.300
flat angles P-C4'-P energy: -55.642
tors. eta vs tors. theta energy: -89.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1207.506669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.506669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.506669 (E_RNA)
where:
Base-Base interactions energy: -816.887
where: short stacking energy: -348.548
Base-Backbone interact. energy: 0.648
local terms energy: -391.267479
where:
bonds (distance) C4'-P energy: -91.674
bonds (distance) P-C4' energy: -94.217
flat angles C4'-P-C4' energy: -93.783
flat angles P-C4'-P energy: -40.099
tors. eta vs tors. theta energy: -71.495
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: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -866.710999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.710999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.710999 (E_RNA)
where:
Base-Base interactions energy: -528.926
where: short stacking energy: -252.164
Base-Backbone interact. energy: 0.788
local terms energy: -338.573273
where:
bonds (distance) C4'-P energy: -87.699
bonds (distance) P-C4' energy: -83.483
flat angles C4'-P-C4' energy: -83.545
flat angles P-C4'-P energy: -59.749
tors. eta vs tors. theta energy: -24.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -583.369705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.369705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.369705 (E_RNA)
where:
Base-Base interactions energy: -309.157
where: short stacking energy: -171.477
Base-Backbone interact. energy: 1.274
local terms energy: -275.485883
where:
bonds (distance) C4'-P energy: -77.857
bonds (distance) P-C4' energy: -74.281
flat angles C4'-P-C4' energy: -87.779
flat angles P-C4'-P energy: -41.071
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: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1836.243086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.243086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.243086 (E_RNA)
where:
Base-Base interactions energy: -1294.676
where: short stacking energy: -505.142
Base-Backbone interact. energy: -3.955
local terms energy: -537.611912
where:
bonds (distance) C4'-P energy: -104.193
bonds (distance) P-C4' energy: -104.980
flat angles C4'-P-C4' energy: -121.344
flat angles P-C4'-P energy: -80.964
tors. eta vs tors. theta energy: -126.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1774.179623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.179623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.179623 (E_RNA)
where:
Base-Base interactions energy: -1223.645
where: short stacking energy: -519.764
Base-Backbone interact. energy: 0.583
local terms energy: -551.118074
where:
bonds (distance) C4'-P energy: -95.413
bonds (distance) P-C4' energy: -100.816
flat angles C4'-P-C4' energy: -109.000
flat angles P-C4'-P energy: -84.013
tors. eta vs tors. theta energy: -161.877
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: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1762.962893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.962893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.962893 (E_RNA)
where:
Base-Base interactions energy: -1274.513
where: short stacking energy: -521.831
Base-Backbone interact. energy: 4.827
local terms energy: -493.276976
where:
bonds (distance) C4'-P energy: -89.189
bonds (distance) P-C4' energy: -95.836
flat angles C4'-P-C4' energy: -106.690
flat angles P-C4'-P energy: -65.795
tors. eta vs tors. theta energy: -135.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1697.311205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.311205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.311205 (E_RNA)
where:
Base-Base interactions energy: -1182.927
where: short stacking energy: -489.519
Base-Backbone interact. energy: -3.506
local terms energy: -510.878803
where:
bonds (distance) C4'-P energy: -86.091
bonds (distance) P-C4' energy: -99.866
flat angles C4'-P-C4' energy: -116.071
flat angles P-C4'-P energy: -67.942
tors. eta vs tors. theta energy: -140.909
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: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1554.598391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.598391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.598391 (E_RNA)
where:
Base-Base interactions energy: -1069.517
where: short stacking energy: -435.444
Base-Backbone interact. energy: -1.743
local terms energy: -483.338594
where:
bonds (distance) C4'-P energy: -96.509
bonds (distance) P-C4' energy: -100.748
flat angles C4'-P-C4' energy: -104.672
flat angles P-C4'-P energy: -60.567
tors. eta vs tors. theta energy: -120.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1472.752351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.752351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.752351 (E_RNA)
where:
Base-Base interactions energy: -1031.873
where: short stacking energy: -412.649
Base-Backbone interact. energy: -4.939
local terms energy: -435.940009
where:
bonds (distance) C4'-P energy: -84.413
bonds (distance) P-C4' energy: -75.488
flat angles C4'-P-C4' energy: -106.695
flat angles P-C4'-P energy: -68.512
tors. eta vs tors. theta energy: -100.831
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: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1327.009495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.009495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.009495 (E_RNA)
where:
Base-Base interactions energy: -910.662
where: short stacking energy: -379.127
Base-Backbone interact. energy: -4.321
local terms energy: -412.027115
where:
bonds (distance) C4'-P energy: -93.548
bonds (distance) P-C4' energy: -85.061
flat angles C4'-P-C4' energy: -88.508
flat angles P-C4'-P energy: -60.651
tors. eta vs tors. theta energy: -84.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1220.723418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.723418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.723418 (E_RNA)
where:
Base-Base interactions energy: -832.124
where: short stacking energy: -318.987
Base-Backbone interact. energy: -3.542
local terms energy: -385.057682
where:
bonds (distance) C4'-P energy: -62.202
bonds (distance) P-C4' energy: -80.362
flat angles C4'-P-C4' energy: -98.290
flat angles P-C4'-P energy: -69.627
tors. eta vs tors. theta energy: -74.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -788.696980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.696980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.696980 (E_RNA)
where:
Base-Base interactions energy: -475.375
where: short stacking energy: -239.547
Base-Backbone interact. energy: -2.329
local terms energy: -310.992941
where:
bonds (distance) C4'-P energy: -68.131
bonds (distance) P-C4' energy: -90.338
flat angles C4'-P-C4' energy: -81.498
flat angles P-C4'-P energy: -42.326
tors. eta vs tors. theta energy: -28.700
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: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -665.838484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.838484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.838484 (E_RNA)
where:
Base-Base interactions energy: -350.041
where: short stacking energy: -171.658
Base-Backbone interact. energy: -1.700
local terms energy: -314.096672
where:
bonds (distance) C4'-P energy: -80.042
bonds (distance) P-C4' energy: -92.853
flat angles C4'-P-C4' energy: -53.703
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -23.876
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: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1840.244011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.244011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.244011 (E_RNA)
where:
Base-Base interactions energy: -1295.046
where: short stacking energy: -514.838
Base-Backbone interact. energy: -5.108
local terms energy: -540.090275
where:
bonds (distance) C4'-P energy: -93.896
bonds (distance) P-C4' energy: -97.145
flat angles C4'-P-C4' energy: -120.210
flat angles P-C4'-P energy: -83.898
tors. eta vs tors. theta energy: -144.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1769.654906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.654906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.654906 (E_RNA)
where:
Base-Base interactions energy: -1224.729
where: short stacking energy: -514.323
Base-Backbone interact. energy: -2.560
local terms energy: -542.365583
where:
bonds (distance) C4'-P energy: -99.448
bonds (distance) P-C4' energy: -96.928
flat angles C4'-P-C4' energy: -119.588
flat angles P-C4'-P energy: -79.476
tors. eta vs tors. theta energy: -146.925
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: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1730.219402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.219402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.219402 (E_RNA)
where:
Base-Base interactions energy: -1219.845
where: short stacking energy: -504.227
Base-Backbone interact. energy: -3.390
local terms energy: -506.984833
where:
bonds (distance) C4'-P energy: -93.719
bonds (distance) P-C4' energy: -100.719
flat angles C4'-P-C4' energy: -112.132
flat angles P-C4'-P energy: -75.538
tors. eta vs tors. theta energy: -124.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1657.752079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.752079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.752079 (E_RNA)
where:
Base-Base interactions energy: -1150.722
where: short stacking energy: -476.744
Base-Backbone interact. energy: -0.868
local terms energy: -506.161986
where:
bonds (distance) C4'-P energy: -90.872
bonds (distance) P-C4' energy: -110.296
flat angles C4'-P-C4' energy: -101.054
flat angles P-C4'-P energy: -68.840
tors. eta vs tors. theta energy: -135.101
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: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1550.528190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.528190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.528190 (E_RNA)
where:
Base-Base interactions energy: -1103.673
where: short stacking energy: -436.705
Base-Backbone interact. energy: 2.662
local terms energy: -449.517507
where:
bonds (distance) C4'-P energy: -73.766
bonds (distance) P-C4' energy: -85.260
flat angles C4'-P-C4' energy: -101.123
flat angles P-C4'-P energy: -71.224
tors. eta vs tors. theta energy: -118.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1456.896444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.896444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.896444 (E_RNA)
where:
Base-Base interactions energy: -998.035
where: short stacking energy: -390.967
Base-Backbone interact. energy: -3.961
local terms energy: -454.900816
where:
bonds (distance) C4'-P energy: -88.277
bonds (distance) P-C4' energy: -95.695
flat angles C4'-P-C4' energy: -99.521
flat angles P-C4'-P energy: -70.982
tors. eta vs tors. theta energy: -100.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1327.027822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.027822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.027822 (E_RNA)
where:
Base-Base interactions energy: -916.158
where: short stacking energy: -372.470
Base-Backbone interact. energy: 2.040
local terms energy: -412.910533
where:
bonds (distance) C4'-P energy: -76.331
bonds (distance) P-C4' energy: -85.067
flat angles C4'-P-C4' energy: -89.076
flat angles P-C4'-P energy: -69.693
tors. eta vs tors. theta energy: -92.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1205.292295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.292295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.292295 (E_RNA)
where:
Base-Base interactions energy: -818.130
where: short stacking energy: -346.566
Base-Backbone interact. energy: -2.056
local terms energy: -385.105705
where:
bonds (distance) C4'-P energy: -74.530
bonds (distance) P-C4' energy: -91.463
flat angles C4'-P-C4' energy: -91.749
flat angles P-C4'-P energy: -56.696
tors. eta vs tors. theta energy: -70.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -787.948296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.948296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.948296 (E_RNA)
where:
Base-Base interactions energy: -456.829
where: short stacking energy: -219.551
Base-Backbone interact. energy: 3.518
local terms energy: -334.637938
where:
bonds (distance) C4'-P energy: -88.311
bonds (distance) P-C4' energy: -92.578
flat angles C4'-P-C4' energy: -80.924
flat angles P-C4'-P energy: -45.841
tors. eta vs tors. theta energy: -26.983
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: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -662.876335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.876335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.876335 (E_RNA)
where:
Base-Base interactions energy: -368.751
where: short stacking energy: -221.084
Base-Backbone interact. energy: 1.592
local terms energy: -295.718119
where:
bonds (distance) C4'-P energy: -80.525
bonds (distance) P-C4' energy: -86.187
flat angles C4'-P-C4' energy: -61.070
flat angles P-C4'-P energy: -43.264
tors. eta vs tors. theta energy: -24.672
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: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1830.824847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.824847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.824847 (E_RNA)
where:
Base-Base interactions energy: -1271.807
where: short stacking energy: -525.141
Base-Backbone interact. energy: -2.793
local terms energy: -556.224457
where:
bonds (distance) C4'-P energy: -101.366
bonds (distance) P-C4' energy: -109.815
flat angles C4'-P-C4' energy: -118.176
flat angles P-C4'-P energy: -85.598
tors. eta vs tors. theta energy: -141.270
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: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1731.977175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.977175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.977175 (E_RNA)
where:
Base-Base interactions energy: -1212.405
where: short stacking energy: -539.956
Base-Backbone interact. energy: -4.365
local terms energy: -515.207648
where:
bonds (distance) C4'-P energy: -81.293
bonds (distance) P-C4' energy: -89.530
flat angles C4'-P-C4' energy: -119.470
flat angles P-C4'-P energy: -79.572
tors. eta vs tors. theta energy: -145.342
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: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1702.506394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.506394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.506394 (E_RNA)
where:
Base-Base interactions energy: -1209.237
where: short stacking energy: -477.236
Base-Backbone interact. energy: -1.415
local terms energy: -491.854500
where:
bonds (distance) C4'-P energy: -93.733
bonds (distance) P-C4' energy: -99.600
flat angles C4'-P-C4' energy: -101.477
flat angles P-C4'-P energy: -70.137
tors. eta vs tors. theta energy: -126.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1632.477533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.477533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.477533 (E_RNA)
where:
Base-Base interactions energy: -1143.622
where: short stacking energy: -480.108
Base-Backbone interact. energy: -1.135
local terms energy: -487.720796
where:
bonds (distance) C4'-P energy: -91.185
bonds (distance) P-C4' energy: -90.599
flat angles C4'-P-C4' energy: -114.805
flat angles P-C4'-P energy: -58.554
tors. eta vs tors. theta energy: -132.578
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: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1565.266336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.266336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.266336 (E_RNA)
where:
Base-Base interactions energy: -1094.956
where: short stacking energy: -423.900
Base-Backbone interact. energy: -1.029
local terms energy: -469.280838
where:
bonds (distance) C4'-P energy: -85.850
bonds (distance) P-C4' energy: -93.537
flat angles C4'-P-C4' energy: -108.092
flat angles P-C4'-P energy: -71.228
tors. eta vs tors. theta energy: -110.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1477.743381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.743381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.743381 (E_RNA)
where:
Base-Base interactions energy: -1029.497
where: short stacking energy: -394.457
Base-Backbone interact. energy: -3.229
local terms energy: -445.017466
where:
bonds (distance) C4'-P energy: -87.916
bonds (distance) P-C4' energy: -97.817
flat angles C4'-P-C4' energy: -91.753
flat angles P-C4'-P energy: -63.380
tors. eta vs tors. theta energy: -104.152
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: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1326.476989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.476989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.476989 (E_RNA)
where:
Base-Base interactions energy: -913.672
where: short stacking energy: -406.669
Base-Backbone interact. energy: -1.828
local terms energy: -410.977003
where:
bonds (distance) C4'-P energy: -91.503
bonds (distance) P-C4' energy: -83.762
flat angles C4'-P-C4' energy: -91.734
flat angles P-C4'-P energy: -54.782
tors. eta vs tors. theta energy: -89.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1247.104092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.104092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.104092 (E_RNA)
where:
Base-Base interactions energy: -854.462
where: short stacking energy: -354.053
Base-Backbone interact. energy: -0.973
local terms energy: -391.669453
where:
bonds (distance) C4'-P energy: -71.825
bonds (distance) P-C4' energy: -76.025
flat angles C4'-P-C4' energy: -95.103
flat angles P-C4'-P energy: -68.689
tors. eta vs tors. theta energy: -80.028
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: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -816.452431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.452431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.452431 (E_RNA)
where:
Base-Base interactions energy: -472.426
where: short stacking energy: -239.581
Base-Backbone interact. energy: 0.101
local terms energy: -344.127819
where:
bonds (distance) C4'-P energy: -80.380
bonds (distance) P-C4' energy: -66.577
flat angles C4'-P-C4' energy: -88.485
flat angles P-C4'-P energy: -59.124
tors. eta vs tors. theta energy: -49.562
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: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -613.433164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.433164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.433164 (E_RNA)
where:
Base-Base interactions energy: -311.778
where: short stacking energy: -168.577
Base-Backbone interact. energy: 0.610
local terms energy: -302.265068
where:
bonds (distance) C4'-P energy: -92.946
bonds (distance) P-C4' energy: -83.755
flat angles C4'-P-C4' energy: -73.248
flat angles P-C4'-P energy: -47.654
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1826.992057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.992057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.992057 (E_RNA)
where:
Base-Base interactions energy: -1271.565
where: short stacking energy: -510.024
Base-Backbone interact. energy: -2.574
local terms energy: -552.852989
where:
bonds (distance) C4'-P energy: -95.256
bonds (distance) P-C4' energy: -113.914
flat angles C4'-P-C4' energy: -119.352
flat angles P-C4'-P energy: -87.678
tors. eta vs tors. theta energy: -136.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1748.294029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.294029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.294029 (E_RNA)
where:
Base-Base interactions energy: -1217.037
where: short stacking energy: -502.983
Base-Backbone interact. energy: -0.405
local terms energy: -530.852121
where:
bonds (distance) C4'-P energy: -88.016
bonds (distance) P-C4' energy: -105.738
flat angles C4'-P-C4' energy: -112.407
flat angles P-C4'-P energy: -86.777
tors. eta vs tors. theta energy: -137.915
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: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1639.761998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.761998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.761998 (E_RNA)
where:
Base-Base interactions energy: -1143.267
where: short stacking energy: -471.144
Base-Backbone interact. energy: -3.639
local terms energy: -492.856438
where:
bonds (distance) C4'-P energy: -97.569
bonds (distance) P-C4' energy: -93.059
flat angles C4'-P-C4' energy: -114.645
flat angles P-C4'-P energy: -70.624
tors. eta vs tors. theta energy: -116.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1669.380658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.380658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.380658 (E_RNA)
where:
Base-Base interactions energy: -1169.503
where: short stacking energy: -478.606
Base-Backbone interact. energy: -1.050
local terms energy: -498.827109
where:
bonds (distance) C4'-P energy: -83.893
bonds (distance) P-C4' energy: -111.635
flat angles C4'-P-C4' energy: -101.746
flat angles P-C4'-P energy: -78.089
tors. eta vs tors. theta energy: -123.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1547.940890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.940890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.940890 (E_RNA)
where:
Base-Base interactions energy: -1058.268
where: short stacking energy: -441.201
Base-Backbone interact. energy: -1.121
local terms energy: -488.552360
where:
bonds (distance) C4'-P energy: -92.002
bonds (distance) P-C4' energy: -102.011
flat angles C4'-P-C4' energy: -113.805
flat angles P-C4'-P energy: -60.613
tors. eta vs tors. theta energy: -120.121
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: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1478.471077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.471077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.471077 (E_RNA)
where:
Base-Base interactions energy: -1041.739
where: short stacking energy: -422.879
Base-Backbone interact. energy: 0.229
local terms energy: -436.961722
where:
bonds (distance) C4'-P energy: -82.159
bonds (distance) P-C4' energy: -80.441
flat angles C4'-P-C4' energy: -98.028
flat angles P-C4'-P energy: -66.468
tors. eta vs tors. theta energy: -109.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1289.917402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.917402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.917402 (E_RNA)
where:
Base-Base interactions energy: -874.292
where: short stacking energy: -373.082
Base-Backbone interact. energy: -1.379
local terms energy: -414.246075
where:
bonds (distance) C4'-P energy: -88.727
bonds (distance) P-C4' energy: -97.142
flat angles C4'-P-C4' energy: -104.158
flat angles P-C4'-P energy: -50.632
tors. eta vs tors. theta energy: -73.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1224.665922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.665922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.665922 (E_RNA)
where:
Base-Base interactions energy: -828.565
where: short stacking energy: -360.153
Base-Backbone interact. energy: 1.651
local terms energy: -397.752065
where:
bonds (distance) C4'-P energy: -95.104
bonds (distance) P-C4' energy: -85.517
flat angles C4'-P-C4' energy: -83.868
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -77.116
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: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -816.665288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.665288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.665288 (E_RNA)
where:
Base-Base interactions energy: -464.305
where: short stacking energy: -221.081
Base-Backbone interact. energy: -1.354
local terms energy: -351.006122
where:
bonds (distance) C4'-P energy: -83.643
bonds (distance) P-C4' energy: -102.714
flat angles C4'-P-C4' energy: -78.605
flat angles P-C4'-P energy: -49.524
tors. eta vs tors. theta energy: -36.520
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: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -616.534087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.534087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.534087 (E_RNA)
where:
Base-Base interactions energy: -337.756
where: short stacking energy: -185.337
Base-Backbone interact. energy: -0.265
local terms energy: -278.513672
where:
bonds (distance) C4'-P energy: -76.534
bonds (distance) P-C4' energy: -98.958
flat angles C4'-P-C4' energy: -60.783
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: -3.804
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: 271
Temperature: 0.900000
Total energy: -1829.585591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.585591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.585591 (E_RNA)
where:
Base-Base interactions energy: -1286.427
where: short stacking energy: -515.960
Base-Backbone interact. energy: -1.856
local terms energy: -541.302310
where:
bonds (distance) C4'-P energy: -113.576
bonds (distance) P-C4' energy: -98.068
flat angles C4'-P-C4' energy: -111.408
flat angles P-C4'-P energy: -75.411
tors. eta vs tors. theta energy: -142.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1739.858731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.858731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.858731 (E_RNA)
where:
Base-Base interactions energy: -1184.386
where: short stacking energy: -493.880
Base-Backbone interact. energy: -2.564
local terms energy: -552.908206
where:
bonds (distance) C4'-P energy: -99.304
bonds (distance) P-C4' energy: -106.998
flat angles C4'-P-C4' energy: -120.009
flat angles P-C4'-P energy: -77.426
tors. eta vs tors. theta energy: -149.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1672.510790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.510790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.510790 (E_RNA)
where:
Base-Base interactions energy: -1150.251
where: short stacking energy: -475.747
Base-Backbone interact. energy: -0.727
local terms energy: -521.532458
where:
bonds (distance) C4'-P energy: -95.062
bonds (distance) P-C4' energy: -104.171
flat angles C4'-P-C4' energy: -117.792
flat angles P-C4'-P energy: -77.082
tors. eta vs tors. theta energy: -127.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1681.311648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.311648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.311648 (E_RNA)
where:
Base-Base interactions energy: -1200.186
where: short stacking energy: -474.757
Base-Backbone interact. energy: -2.036
local terms energy: -479.089245
where:
bonds (distance) C4'-P energy: -97.343
bonds (distance) P-C4' energy: -97.911
flat angles C4'-P-C4' energy: -102.201
flat angles P-C4'-P energy: -57.206
tors. eta vs tors. theta energy: -124.428
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: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1543.681169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.681169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.681169 (E_RNA)
where:
Base-Base interactions energy: -1111.065
where: short stacking energy: -449.871
Base-Backbone interact. energy: -2.882
local terms energy: -429.733840
where:
bonds (distance) C4'-P energy: -89.050
bonds (distance) P-C4' energy: -77.898
flat angles C4'-P-C4' energy: -95.300
flat angles P-C4'-P energy: -64.109
tors. eta vs tors. theta energy: -103.377
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: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1445.934735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.934735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.934735 (E_RNA)
where:
Base-Base interactions energy: -1000.248
where: short stacking energy: -389.325
Base-Backbone interact. energy: -3.473
local terms energy: -442.213526
where:
bonds (distance) C4'-P energy: -80.151
bonds (distance) P-C4' energy: -104.916
flat angles C4'-P-C4' energy: -97.507
flat angles P-C4'-P energy: -64.663
tors. eta vs tors. theta energy: -94.976
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: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1311.987206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.987206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.987206 (E_RNA)
where:
Base-Base interactions energy: -865.594
where: short stacking energy: -381.957
Base-Backbone interact. energy: -1.083
local terms energy: -445.309830
where:
bonds (distance) C4'-P energy: -97.364
bonds (distance) P-C4' energy: -81.169
flat angles C4'-P-C4' energy: -98.693
flat angles P-C4'-P energy: -64.545
tors. eta vs tors. theta energy: -103.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1298.403267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.403267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.403267 (E_RNA)
where:
Base-Base interactions energy: -900.164
where: short stacking energy: -378.825
Base-Backbone interact. energy: -1.413
local terms energy: -396.825530
where:
bonds (distance) C4'-P energy: -77.075
bonds (distance) P-C4' energy: -92.539
flat angles C4'-P-C4' energy: -96.334
flat angles P-C4'-P energy: -54.173
tors. eta vs tors. theta energy: -76.704
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: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -812.569425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.569425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.569425 (E_RNA)
where:
Base-Base interactions energy: -477.310
where: short stacking energy: -216.351
Base-Backbone interact. energy: 1.042
local terms energy: -336.301697
where:
bonds (distance) C4'-P energy: -84.565
bonds (distance) P-C4' energy: -89.783
flat angles C4'-P-C4' energy: -77.360
flat angles P-C4'-P energy: -58.567
tors. eta vs tors. theta energy: -26.027
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: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -613.303947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.303947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.303947 (E_RNA)
where:
Base-Base interactions energy: -317.169
where: short stacking energy: -176.771
Base-Backbone interact. energy: -1.202
local terms energy: -294.932913
where:
bonds (distance) C4'-P energy: -80.687
bonds (distance) P-C4' energy: -80.674
flat angles C4'-P-C4' energy: -76.898
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1804.513180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.513180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.513180 (E_RNA)
where:
Base-Base interactions energy: -1267.644
where: short stacking energy: -513.601
Base-Backbone interact. energy: -2.166
local terms energy: -534.703325
where:
bonds (distance) C4'-P energy: -101.587
bonds (distance) P-C4' energy: -111.611
flat angles C4'-P-C4' energy: -115.448
flat angles P-C4'-P energy: -69.144
tors. eta vs tors. theta energy: -136.914
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: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1734.445675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.445675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.445675 (E_RNA)
where:
Base-Base interactions energy: -1225.498
where: short stacking energy: -522.018
Base-Backbone interact. energy: -1.209
local terms energy: -507.739390
where:
bonds (distance) C4'-P energy: -88.637
bonds (distance) P-C4' energy: -91.524
flat angles C4'-P-C4' energy: -107.582
flat angles P-C4'-P energy: -76.050
tors. eta vs tors. theta energy: -143.946
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: 272
Temperature: 1.000000
Total energy: -1692.791216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.791216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.791216 (E_RNA)
where:
Base-Base interactions energy: -1195.313
where: short stacking energy: -457.776
Base-Backbone interact. energy: -4.616
local terms energy: -492.861740
where:
bonds (distance) C4'-P energy: -93.517
bonds (distance) P-C4' energy: -97.129
flat angles C4'-P-C4' energy: -113.504
flat angles P-C4'-P energy: -70.819
tors. eta vs tors. theta energy: -117.892
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: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1635.567249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.567249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.567249 (E_RNA)
where:
Base-Base interactions energy: -1146.637
where: short stacking energy: -488.394
Base-Backbone interact. energy: -1.595
local terms energy: -487.334752
where:
bonds (distance) C4'-P energy: -83.947
bonds (distance) P-C4' energy: -98.062
flat angles C4'-P-C4' energy: -107.823
flat angles P-C4'-P energy: -68.105
tors. eta vs tors. theta energy: -129.398
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: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1545.714888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.714888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.714888 (E_RNA)
where:
Base-Base interactions energy: -1063.355
where: short stacking energy: -441.439
Base-Backbone interact. energy: -2.674
local terms energy: -479.686155
where:
bonds (distance) C4'-P energy: -103.034
bonds (distance) P-C4' energy: -82.438
flat angles C4'-P-C4' energy: -107.817
flat angles P-C4'-P energy: -67.208
tors. eta vs tors. theta energy: -119.189
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: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1389.540773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.540773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.540773 (E_RNA)
where:
Base-Base interactions energy: -977.600
where: short stacking energy: -407.260
Base-Backbone interact. energy: -2.294
local terms energy: -409.645977
where:
bonds (distance) C4'-P energy: -75.028
bonds (distance) P-C4' energy: -88.750
flat angles C4'-P-C4' energy: -90.784
flat angles P-C4'-P energy: -71.992
tors. eta vs tors. theta energy: -83.093
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: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1256.450465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.450465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.450465 (E_RNA)
where:
Base-Base interactions energy: -831.582
where: short stacking energy: -371.849
Base-Backbone interact. energy: -0.867
local terms energy: -424.001455
where:
bonds (distance) C4'-P energy: -93.797
bonds (distance) P-C4' energy: -79.754
flat angles C4'-P-C4' energy: -100.444
flat angles P-C4'-P energy: -67.285
tors. eta vs tors. theta energy: -82.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1237.012973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.012973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.012973 (E_RNA)
where:
Base-Base interactions energy: -820.270
where: short stacking energy: -361.161
Base-Backbone interact. energy: -2.018
local terms energy: -414.724719
where:
bonds (distance) C4'-P energy: -86.489
bonds (distance) P-C4' energy: -83.821
flat angles C4'-P-C4' energy: -97.401
flat angles P-C4'-P energy: -59.316
tors. eta vs tors. theta energy: -87.698
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: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -880.117253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.117253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.117253 (E_RNA)
where:
Base-Base interactions energy: -532.573
where: short stacking energy: -237.261
Base-Backbone interact. energy: -0.786
local terms energy: -346.757652
where:
bonds (distance) C4'-P energy: -74.229
bonds (distance) P-C4' energy: -86.068
flat angles C4'-P-C4' energy: -80.695
flat angles P-C4'-P energy: -59.125
tors. eta vs tors. theta energy: -46.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -649.367082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.367082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.367082 (E_RNA)
where:
Base-Base interactions energy: -333.241
where: short stacking energy: -196.236
Base-Backbone interact. energy: 1.959
local terms energy: -318.084995
where:
bonds (distance) C4'-P energy: -78.835
bonds (distance) P-C4' energy: -87.150
flat angles C4'-P-C4' energy: -76.226
flat angles P-C4'-P energy: -59.855
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1805.111349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.111349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.111349 (E_RNA)
where:
Base-Base interactions energy: -1277.612
where: short stacking energy: -512.571
Base-Backbone interact. energy: -2.686
local terms energy: -524.812766
where:
bonds (distance) C4'-P energy: -86.592
bonds (distance) P-C4' energy: -99.362
flat angles C4'-P-C4' energy: -125.829
flat angles P-C4'-P energy: -72.774
tors. eta vs tors. theta energy: -140.256
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: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1756.815216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.815216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.815216 (E_RNA)
where:
Base-Base interactions energy: -1243.847
where: short stacking energy: -481.731
Base-Backbone interact. energy: -2.505
local terms energy: -510.463947
where:
bonds (distance) C4'-P energy: -94.394
bonds (distance) P-C4' energy: -91.183
flat angles C4'-P-C4' energy: -116.645
flat angles P-C4'-P energy: -73.012
tors. eta vs tors. theta energy: -135.230
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: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1714.948819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.948819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.948819 (E_RNA)
where:
Base-Base interactions energy: -1191.479
where: short stacking energy: -496.253
Base-Backbone interact. energy: -1.655
local terms energy: -521.814724
where:
bonds (distance) C4'-P energy: -88.463
bonds (distance) P-C4' energy: -115.384
flat angles C4'-P-C4' energy: -108.142
flat angles P-C4'-P energy: -75.554
tors. eta vs tors. theta energy: -134.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1619.186372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.186372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.186372 (E_RNA)
where:
Base-Base interactions energy: -1117.891
where: short stacking energy: -460.935
Base-Backbone interact. energy: -0.792
local terms energy: -500.502988
where:
bonds (distance) C4'-P energy: -90.979
bonds (distance) P-C4' energy: -95.309
flat angles C4'-P-C4' energy: -116.407
flat angles P-C4'-P energy: -72.635
tors. eta vs tors. theta energy: -125.173
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: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1534.768049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.768049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.768049 (E_RNA)
where:
Base-Base interactions energy: -1096.342
where: short stacking energy: -436.285
Base-Backbone interact. energy: -2.854
local terms energy: -435.571841
where:
bonds (distance) C4'-P energy: -93.109
bonds (distance) P-C4' energy: -83.490
flat angles C4'-P-C4' energy: -94.841
flat angles P-C4'-P energy: -56.269
tors. eta vs tors. theta energy: -107.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1436.378070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.378070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.378070 (E_RNA)
where:
Base-Base interactions energy: -991.073
where: short stacking energy: -410.056
Base-Backbone interact. energy: 2.097
local terms energy: -447.401801
where:
bonds (distance) C4'-P energy: -78.885
bonds (distance) P-C4' energy: -97.701
flat angles C4'-P-C4' energy: -99.021
flat angles P-C4'-P energy: -69.696
tors. eta vs tors. theta energy: -102.099
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: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1315.618565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.618565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.618565 (E_RNA)
where:
Base-Base interactions energy: -910.441
where: short stacking energy: -382.850
Base-Backbone interact. energy: -0.702
local terms energy: -404.475381
where:
bonds (distance) C4'-P energy: -82.857
bonds (distance) P-C4' energy: -88.719
flat angles C4'-P-C4' energy: -91.993
flat angles P-C4'-P energy: -56.506
tors. eta vs tors. theta energy: -84.401
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: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1251.940920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.940920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.940920 (E_RNA)
where:
Base-Base interactions energy: -841.931
where: short stacking energy: -357.943
Base-Backbone interact. energy: -0.369
local terms energy: -409.640499
where:
bonds (distance) C4'-P energy: -77.236
bonds (distance) P-C4' energy: -89.390
flat angles C4'-P-C4' energy: -88.732
flat angles P-C4'-P energy: -65.007
tors. eta vs tors. theta energy: -89.276
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: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -886.028682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.028682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.028682 (E_RNA)
where:
Base-Base interactions energy: -559.348
where: short stacking energy: -275.254
Base-Backbone interact. energy: 0.033
local terms energy: -326.714196
where:
bonds (distance) C4'-P energy: -72.978
bonds (distance) P-C4' energy: -77.837
flat angles C4'-P-C4' energy: -80.499
flat angles P-C4'-P energy: -43.674
tors. eta vs tors. theta energy: -51.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -650.896424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.896424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.896424 (E_RNA)
where:
Base-Base interactions energy: -361.234
where: short stacking energy: -200.570
Base-Backbone interact. energy: 0.084
local terms energy: -289.746463
where:
bonds (distance) C4'-P energy: -77.861
bonds (distance) P-C4' energy: -71.113
flat angles C4'-P-C4' energy: -86.402
flat angles P-C4'-P energy: -46.577
tors. eta vs tors. theta energy: -7.793
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: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1831.342478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.342478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.342478 (E_RNA)
where:
Base-Base interactions energy: -1319.502
where: short stacking energy: -509.202
Base-Backbone interact. energy: -1.358
local terms energy: -510.482945
where:
bonds (distance) C4'-P energy: -101.221
bonds (distance) P-C4' energy: -83.359
flat angles C4'-P-C4' energy: -113.419
flat angles P-C4'-P energy: -75.514
tors. eta vs tors. theta energy: -136.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1805.857454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.857454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.857454 (E_RNA)
where:
Base-Base interactions energy: -1275.227
where: short stacking energy: -540.700
Base-Backbone interact. energy: -1.816
local terms energy: -528.814882
where:
bonds (distance) C4'-P energy: -93.729
bonds (distance) P-C4' energy: -99.135
flat angles C4'-P-C4' energy: -110.909
flat angles P-C4'-P energy: -79.649
tors. eta vs tors. theta energy: -145.393
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: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1708.469002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.469002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.469002 (E_RNA)
where:
Base-Base interactions energy: -1175.788
where: short stacking energy: -482.697
Base-Backbone interact. energy: 0.825
local terms energy: -533.505999
where:
bonds (distance) C4'-P energy: -99.447
bonds (distance) P-C4' energy: -96.070
flat angles C4'-P-C4' energy: -119.061
flat angles P-C4'-P energy: -78.573
tors. eta vs tors. theta energy: -140.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1664.604293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.604293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.604293 (E_RNA)
where:
Base-Base interactions energy: -1151.440
where: short stacking energy: -471.521
Base-Backbone interact. energy: -0.447
local terms energy: -512.716997
where:
bonds (distance) C4'-P energy: -101.568
bonds (distance) P-C4' energy: -94.675
flat angles C4'-P-C4' energy: -111.893
flat angles P-C4'-P energy: -72.677
tors. eta vs tors. theta energy: -131.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1548.501118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.501118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.501118 (E_RNA)
where:
Base-Base interactions energy: -1064.910
where: short stacking energy: -416.245
Base-Backbone interact. energy: -2.606
local terms energy: -480.984633
where:
bonds (distance) C4'-P energy: -89.621
bonds (distance) P-C4' energy: -96.752
flat angles C4'-P-C4' energy: -113.133
flat angles P-C4'-P energy: -70.644
tors. eta vs tors. theta energy: -110.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1470.299174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.299174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.299174 (E_RNA)
where:
Base-Base interactions energy: -1044.795
where: short stacking energy: -418.345
Base-Backbone interact. energy: -1.138
local terms energy: -424.365483
where:
bonds (distance) C4'-P energy: -81.507
bonds (distance) P-C4' energy: -88.196
flat angles C4'-P-C4' energy: -99.870
flat angles P-C4'-P energy: -59.415
tors. eta vs tors. theta energy: -95.376
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: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1288.999302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.999302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.999302 (E_RNA)
where:
Base-Base interactions energy: -870.067
where: short stacking energy: -353.497
Base-Backbone interact. energy: -0.348
local terms energy: -418.585088
where:
bonds (distance) C4'-P energy: -83.358
bonds (distance) P-C4' energy: -89.663
flat angles C4'-P-C4' energy: -107.664
flat angles P-C4'-P energy: -61.973
tors. eta vs tors. theta energy: -75.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1267.182179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.182179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.182179 (E_RNA)
where:
Base-Base interactions energy: -850.350
where: short stacking energy: -360.315
Base-Backbone interact. energy: -1.990
local terms energy: -414.842200
where:
bonds (distance) C4'-P energy: -84.260
bonds (distance) P-C4' energy: -81.621
flat angles C4'-P-C4' energy: -98.023
flat angles P-C4'-P energy: -56.503
tors. eta vs tors. theta energy: -94.436
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: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -843.396185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.396185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.396185 (E_RNA)
where:
Base-Base interactions energy: -515.796
where: short stacking energy: -231.290
Base-Backbone interact. energy: -1.724
local terms energy: -325.876191
where:
bonds (distance) C4'-P energy: -72.888
bonds (distance) P-C4' energy: -82.393
flat angles C4'-P-C4' energy: -91.316
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: -24.189
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: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -613.912666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.912666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.912666 (E_RNA)
where:
Base-Base interactions energy: -331.648
where: short stacking energy: -182.894
Base-Backbone interact. energy: -3.426
local terms energy: -278.838795
where:
bonds (distance) C4'-P energy: -83.003
bonds (distance) P-C4' energy: -70.116
flat angles C4'-P-C4' energy: -65.579
flat angles P-C4'-P energy: -49.835
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1827.958855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.958855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.958855 (E_RNA)
where:
Base-Base interactions energy: -1270.240
where: short stacking energy: -504.470
Base-Backbone interact. energy: -3.567
local terms energy: -554.151397
where:
bonds (distance) C4'-P energy: -109.291
bonds (distance) P-C4' energy: -116.521
flat angles C4'-P-C4' energy: -111.819
flat angles P-C4'-P energy: -77.622
tors. eta vs tors. theta energy: -138.898
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: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1792.719843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.719843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.719843 (E_RNA)
where:
Base-Base interactions energy: -1298.573
where: short stacking energy: -519.793
Base-Backbone interact. energy: -7.185
local terms energy: -486.961100
where:
bonds (distance) C4'-P energy: -90.166
bonds (distance) P-C4' energy: -91.247
flat angles C4'-P-C4' energy: -104.877
flat angles P-C4'-P energy: -68.684
tors. eta vs tors. theta energy: -131.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1704.036648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.036648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.036648 (E_RNA)
where:
Base-Base interactions energy: -1192.467
where: short stacking energy: -505.041
Base-Backbone interact. energy: -1.108
local terms energy: -510.461138
where:
bonds (distance) C4'-P energy: -90.872
bonds (distance) P-C4' energy: -89.990
flat angles C4'-P-C4' energy: -106.146
flat angles P-C4'-P energy: -77.405
tors. eta vs tors. theta energy: -146.048
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: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1666.555427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.555427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.555427 (E_RNA)
where:
Base-Base interactions energy: -1165.348
where: short stacking energy: -482.608
Base-Backbone interact. energy: 4.159
local terms energy: -505.366522
where:
bonds (distance) C4'-P energy: -95.067
bonds (distance) P-C4' energy: -104.576
flat angles C4'-P-C4' energy: -100.883
flat angles P-C4'-P energy: -72.932
tors. eta vs tors. theta energy: -131.909
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: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1546.814015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.814015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.814015 (E_RNA)
where:
Base-Base interactions energy: -1081.716
where: short stacking energy: -438.269
Base-Backbone interact. energy: -1.161
local terms energy: -463.936796
where:
bonds (distance) C4'-P energy: -87.110
bonds (distance) P-C4' energy: -92.460
flat angles C4'-P-C4' energy: -106.069
flat angles P-C4'-P energy: -60.254
tors. eta vs tors. theta energy: -118.043
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: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1449.547767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.547767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.547767 (E_RNA)
where:
Base-Base interactions energy: -1013.658
where: short stacking energy: -395.012
Base-Backbone interact. energy: -1.105
local terms energy: -434.785009
where:
bonds (distance) C4'-P energy: -93.568
bonds (distance) P-C4' energy: -85.832
flat angles C4'-P-C4' energy: -101.805
flat angles P-C4'-P energy: -51.874
tors. eta vs tors. theta energy: -101.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1312.439563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.439563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.439563 (E_RNA)
where:
Base-Base interactions energy: -879.119
where: short stacking energy: -374.464
Base-Backbone interact. energy: -3.149
local terms energy: -430.171806
where:
bonds (distance) C4'-P energy: -73.264
bonds (distance) P-C4' energy: -87.492
flat angles C4'-P-C4' energy: -121.874
flat angles P-C4'-P energy: -52.593
tors. eta vs tors. theta energy: -94.949
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: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1222.994882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.994882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.994882 (E_RNA)
where:
Base-Base interactions energy: -829.173
where: short stacking energy: -347.364
Base-Backbone interact. energy: -1.564
local terms energy: -392.258080
where:
bonds (distance) C4'-P energy: -87.036
bonds (distance) P-C4' energy: -87.115
flat angles C4'-P-C4' energy: -93.333
flat angles P-C4'-P energy: -47.293
tors. eta vs tors. theta energy: -77.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -883.430727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.430727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.430727 (E_RNA)
where:
Base-Base interactions energy: -565.587
where: short stacking energy: -259.192
Base-Backbone interact. energy: 1.556
local terms energy: -319.399257
where:
bonds (distance) C4'-P energy: -77.367
bonds (distance) P-C4' energy: -87.784
flat angles C4'-P-C4' energy: -75.566
flat angles P-C4'-P energy: -48.515
tors. eta vs tors. theta energy: -30.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -596.046168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.046168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.046168 (E_RNA)
where:
Base-Base interactions energy: -318.413
where: short stacking energy: -166.368
Base-Backbone interact. energy: 0.644
local terms energy: -278.276720
where:
bonds (distance) C4'-P energy: -60.227
bonds (distance) P-C4' energy: -88.628
flat angles C4'-P-C4' energy: -83.476
flat angles P-C4'-P energy: -38.769
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: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1834.592450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.592450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.592450 (E_RNA)
where:
Base-Base interactions energy: -1306.337
where: short stacking energy: -525.423
Base-Backbone interact. energy: -1.135
local terms energy: -527.120563
where:
bonds (distance) C4'-P energy: -97.744
bonds (distance) P-C4' energy: -100.484
flat angles C4'-P-C4' energy: -112.310
flat angles P-C4'-P energy: -76.070
tors. eta vs tors. theta energy: -140.513
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: 276
Temperature: 0.950000
Total energy: -1830.550342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.550342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.550342 (E_RNA)
where:
Base-Base interactions energy: -1284.239
where: short stacking energy: -535.501
Base-Backbone interact. energy: 0.361
local terms energy: -546.672603
where:
bonds (distance) C4'-P energy: -100.956
bonds (distance) P-C4' energy: -99.435
flat angles C4'-P-C4' energy: -114.314
flat angles P-C4'-P energy: -83.285
tors. eta vs tors. theta energy: -148.682
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: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1698.404869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.404869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.404869 (E_RNA)
where:
Base-Base interactions energy: -1181.242
where: short stacking energy: -512.564
Base-Backbone interact. energy: 0.356
local terms energy: -517.518226
where:
bonds (distance) C4'-P energy: -89.322
bonds (distance) P-C4' energy: -98.575
flat angles C4'-P-C4' energy: -114.668
flat angles P-C4'-P energy: -70.005
tors. eta vs tors. theta energy: -144.948
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: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1631.614882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.614882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.614882 (E_RNA)
where:
Base-Base interactions energy: -1130.058
where: short stacking energy: -468.814
Base-Backbone interact. energy: 1.539
local terms energy: -503.096311
where:
bonds (distance) C4'-P energy: -79.974
bonds (distance) P-C4' energy: -111.350
flat angles C4'-P-C4' energy: -115.204
flat angles P-C4'-P energy: -70.152
tors. eta vs tors. theta energy: -126.416
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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1583.650742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.650742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.650742 (E_RNA)
where:
Base-Base interactions energy: -1091.953
where: short stacking energy: -470.728
Base-Backbone interact. energy: 2.357
local terms energy: -494.055125
where:
bonds (distance) C4'-P energy: -95.513
bonds (distance) P-C4' energy: -95.366
flat angles C4'-P-C4' energy: -108.353
flat angles P-C4'-P energy: -63.255
tors. eta vs tors. theta energy: -131.568
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: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1420.609465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.609465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.609465 (E_RNA)
where:
Base-Base interactions energy: -985.301
where: short stacking energy: -409.693
Base-Backbone interact. energy: -3.176
local terms energy: -432.133365
where:
bonds (distance) C4'-P energy: -84.900
bonds (distance) P-C4' energy: -91.730
flat angles C4'-P-C4' energy: -88.374
flat angles P-C4'-P energy: -68.081
tors. eta vs tors. theta energy: -99.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1375.108992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.108992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.108992 (E_RNA)
where:
Base-Base interactions energy: -945.605
where: short stacking energy: -387.682
Base-Backbone interact. energy: -1.202
local terms energy: -428.301962
where:
bonds (distance) C4'-P energy: -74.863
bonds (distance) P-C4' energy: -101.970
flat angles C4'-P-C4' energy: -89.445
flat angles P-C4'-P energy: -64.414
tors. eta vs tors. theta energy: -97.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1225.802540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.802540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.802540 (E_RNA)
where:
Base-Base interactions energy: -817.155
where: short stacking energy: -337.268
Base-Backbone interact. energy: 2.763
local terms energy: -411.411288
where:
bonds (distance) C4'-P energy: -91.473
bonds (distance) P-C4' energy: -86.757
flat angles C4'-P-C4' energy: -92.741
flat angles P-C4'-P energy: -71.680
tors. eta vs tors. theta energy: -68.761
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: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -871.825049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.825049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.825049 (E_RNA)
where:
Base-Base interactions energy: -573.460
where: short stacking energy: -272.604
Base-Backbone interact. energy: 1.303
local terms energy: -299.668938
where:
bonds (distance) C4'-P energy: -70.608
bonds (distance) P-C4' energy: -70.689
flat angles C4'-P-C4' energy: -84.800
flat angles P-C4'-P energy: -43.581
tors. eta vs tors. theta energy: -29.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -556.835680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.835680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.835680 (E_RNA)
where:
Base-Base interactions energy: -264.285
where: short stacking energy: -158.511
Base-Backbone interact. energy: 4.860
local terms energy: -297.411174
where:
bonds (distance) C4'-P energy: -74.283
bonds (distance) P-C4' energy: -86.213
flat angles C4'-P-C4' energy: -80.451
flat angles P-C4'-P energy: -54.472
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1815.785498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.785498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.785498 (E_RNA)
where:
Base-Base interactions energy: -1292.402
where: short stacking energy: -507.262
Base-Backbone interact. energy: -2.555
local terms energy: -520.828244
where:
bonds (distance) C4'-P energy: -102.055
bonds (distance) P-C4' energy: -98.484
flat angles C4'-P-C4' energy: -112.807
flat angles P-C4'-P energy: -73.922
tors. eta vs tors. theta energy: -133.560
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: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1783.662029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.662029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.662029 (E_RNA)
where:
Base-Base interactions energy: -1242.111
where: short stacking energy: -505.457
Base-Backbone interact. energy: -0.579
local terms energy: -540.971413
where:
bonds (distance) C4'-P energy: -88.440
bonds (distance) P-C4' energy: -109.999
flat angles C4'-P-C4' energy: -117.152
flat angles P-C4'-P energy: -85.769
tors. eta vs tors. theta energy: -139.612
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: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1684.958880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.958880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.958880 (E_RNA)
where:
Base-Base interactions energy: -1153.568
where: short stacking energy: -495.185
Base-Backbone interact. energy: -1.609
local terms energy: -529.781952
where:
bonds (distance) C4'-P energy: -87.566
bonds (distance) P-C4' energy: -98.917
flat angles C4'-P-C4' energy: -125.730
flat angles P-C4'-P energy: -70.474
tors. eta vs tors. theta energy: -147.095
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: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1692.754859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.754859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.754859 (E_RNA)
where:
Base-Base interactions energy: -1192.422
where: short stacking energy: -489.513
Base-Backbone interact. energy: -3.426
local terms energy: -496.907181
where:
bonds (distance) C4'-P energy: -100.098
bonds (distance) P-C4' energy: -92.509
flat angles C4'-P-C4' energy: -103.434
flat angles P-C4'-P energy: -71.084
tors. eta vs tors. theta energy: -129.782
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: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1570.119509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.119509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.119509 (E_RNA)
where:
Base-Base interactions energy: -1100.501
where: short stacking energy: -444.090
Base-Backbone interact. energy: -2.645
local terms energy: -466.973398
where:
bonds (distance) C4'-P energy: -80.721
bonds (distance) P-C4' energy: -92.734
flat angles C4'-P-C4' energy: -108.050
flat angles P-C4'-P energy: -72.148
tors. eta vs tors. theta energy: -113.320
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: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1404.802243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.802243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.802243 (E_RNA)
where:
Base-Base interactions energy: -958.383
where: short stacking energy: -388.011
Base-Backbone interact. energy: -3.957
local terms energy: -442.462851
where:
bonds (distance) C4'-P energy: -78.413
bonds (distance) P-C4' energy: -103.785
flat angles C4'-P-C4' energy: -101.206
flat angles P-C4'-P energy: -64.618
tors. eta vs tors. theta energy: -94.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1340.284126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.284126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.284126 (E_RNA)
where:
Base-Base interactions energy: -916.766
where: short stacking energy: -406.884
Base-Backbone interact. energy: -1.125
local terms energy: -422.392538
where:
bonds (distance) C4'-P energy: -64.786
bonds (distance) P-C4' energy: -86.161
flat angles C4'-P-C4' energy: -108.779
flat angles P-C4'-P energy: -62.968
tors. eta vs tors. theta energy: -99.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1244.147888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.147888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.147888 (E_RNA)
where:
Base-Base interactions energy: -840.447
where: short stacking energy: -348.966
Base-Backbone interact. energy: 2.741
local terms energy: -406.441627
where:
bonds (distance) C4'-P energy: -91.062
bonds (distance) P-C4' energy: -77.608
flat angles C4'-P-C4' energy: -92.592
flat angles P-C4'-P energy: -56.498
tors. eta vs tors. theta energy: -88.681
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: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -927.900658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.900658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.900658 (E_RNA)
where:
Base-Base interactions energy: -582.808
where: short stacking energy: -280.356
Base-Backbone interact. energy: -1.728
local terms energy: -343.364592
where:
bonds (distance) C4'-P energy: -73.345
bonds (distance) P-C4' energy: -89.919
flat angles C4'-P-C4' energy: -67.972
flat angles P-C4'-P energy: -63.915
tors. eta vs tors. theta energy: -48.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -570.084739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.084739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.084739 (E_RNA)
where:
Base-Base interactions energy: -300.455
where: short stacking energy: -180.164
Base-Backbone interact. energy: 0.701
local terms energy: -270.330214
where:
bonds (distance) C4'-P energy: -81.354
bonds (distance) P-C4' energy: -84.127
flat angles C4'-P-C4' energy: -66.546
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: 1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1778.734326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.734326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.734326 (E_RNA)
where:
Base-Base interactions energy: -1226.425
where: short stacking energy: -526.254
Base-Backbone interact. energy: -1.623
local terms energy: -550.686267
where:
bonds (distance) C4'-P energy: -96.669
bonds (distance) P-C4' energy: -98.852
flat angles C4'-P-C4' energy: -125.512
flat angles P-C4'-P energy: -78.494
tors. eta vs tors. theta energy: -151.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1772.657487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.657487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.657487 (E_RNA)
where:
Base-Base interactions energy: -1240.725
where: short stacking energy: -495.169
Base-Backbone interact. energy: -0.857
local terms energy: -531.075833
where:
bonds (distance) C4'-P energy: -94.778
bonds (distance) P-C4' energy: -105.654
flat angles C4'-P-C4' energy: -110.517
flat angles P-C4'-P energy: -79.016
tors. eta vs tors. theta energy: -141.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1728.868454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.868454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.868454 (E_RNA)
where:
Base-Base interactions energy: -1202.153
where: short stacking energy: -500.304
Base-Backbone interact. energy: -0.880
local terms energy: -525.835742
where:
bonds (distance) C4'-P energy: -95.718
bonds (distance) P-C4' energy: -95.662
flat angles C4'-P-C4' energy: -113.831
flat angles P-C4'-P energy: -74.062
tors. eta vs tors. theta energy: -146.563
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: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1689.268995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.268995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.268995 (E_RNA)
where:
Base-Base interactions energy: -1203.913
where: short stacking energy: -502.586
Base-Backbone interact. energy: -1.712
local terms energy: -483.644080
where:
bonds (distance) C4'-P energy: -89.138
bonds (distance) P-C4' energy: -96.858
flat angles C4'-P-C4' energy: -102.025
flat angles P-C4'-P energy: -66.384
tors. eta vs tors. theta energy: -129.240
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: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1526.158117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.158117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.158117 (E_RNA)
where:
Base-Base interactions energy: -1052.355
where: short stacking energy: -419.212
Base-Backbone interact. energy: -3.687
local terms energy: -470.115227
where:
bonds (distance) C4'-P energy: -94.958
bonds (distance) P-C4' energy: -95.118
flat angles C4'-P-C4' energy: -98.025
flat angles P-C4'-P energy: -69.364
tors. eta vs tors. theta energy: -112.650
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: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1421.729237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.729237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.729237 (E_RNA)
where:
Base-Base interactions energy: -989.984
where: short stacking energy: -397.889
Base-Backbone interact. energy: -3.013
local terms energy: -428.732927
where:
bonds (distance) C4'-P energy: -95.607
bonds (distance) P-C4' energy: -81.591
flat angles C4'-P-C4' energy: -89.011
flat angles P-C4'-P energy: -61.906
tors. eta vs tors. theta energy: -100.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1307.126550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.126550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.126550 (E_RNA)
where:
Base-Base interactions energy: -884.684
where: short stacking energy: -371.924
Base-Backbone interact. energy: -1.038
local terms energy: -421.405121
where:
bonds (distance) C4'-P energy: -89.003
bonds (distance) P-C4' energy: -72.536
flat angles C4'-P-C4' energy: -91.888
flat angles P-C4'-P energy: -59.688
tors. eta vs tors. theta energy: -108.291
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: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1211.613317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.613317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.613317 (E_RNA)
where:
Base-Base interactions energy: -821.098
where: short stacking energy: -336.007
Base-Backbone interact. energy: -1.170
local terms energy: -389.345335
where:
bonds (distance) C4'-P energy: -84.868
bonds (distance) P-C4' energy: -95.085
flat angles C4'-P-C4' energy: -91.423
flat angles P-C4'-P energy: -55.509
tors. eta vs tors. theta energy: -62.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -898.471602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.471602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.471602 (E_RNA)
where:
Base-Base interactions energy: -555.808
where: short stacking energy: -265.519
Base-Backbone interact. energy: -1.163
local terms energy: -341.500576
where:
bonds (distance) C4'-P energy: -81.351
bonds (distance) P-C4' energy: -76.946
flat angles C4'-P-C4' energy: -78.894
flat angles P-C4'-P energy: -53.764
tors. eta vs tors. theta energy: -50.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -524.771990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.771990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.771990 (E_RNA)
where:
Base-Base interactions energy: -268.320
where: short stacking energy: -145.341
Base-Backbone interact. energy: -2.748
local terms energy: -253.704483
where:
bonds (distance) C4'-P energy: -69.964
bonds (distance) P-C4' energy: -96.521
flat angles C4'-P-C4' energy: -55.840
flat angles P-C4'-P energy: -46.795
tors. eta vs tors. theta energy: 15.415
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: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1790.119420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.119420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.119420 (E_RNA)
where:
Base-Base interactions energy: -1254.417
where: short stacking energy: -535.407
Base-Backbone interact. energy: -6.307
local terms energy: -529.394855
where:
bonds (distance) C4'-P energy: -95.358
bonds (distance) P-C4' energy: -111.559
flat angles C4'-P-C4' energy: -107.812
flat angles P-C4'-P energy: -68.586
tors. eta vs tors. theta energy: -146.081
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: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1767.799435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.799435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.799435 (E_RNA)
where:
Base-Base interactions energy: -1244.479
where: short stacking energy: -535.657
Base-Backbone interact. energy: -0.994
local terms energy: -522.326745
where:
bonds (distance) C4'-P energy: -95.722
bonds (distance) P-C4' energy: -89.450
flat angles C4'-P-C4' energy: -117.690
flat angles P-C4'-P energy: -73.810
tors. eta vs tors. theta energy: -145.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1718.576781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.576781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.576781 (E_RNA)
where:
Base-Base interactions energy: -1207.408
where: short stacking energy: -479.384
Base-Backbone interact. energy: -2.476
local terms energy: -508.693038
where:
bonds (distance) C4'-P energy: -97.122
bonds (distance) P-C4' energy: -96.660
flat angles C4'-P-C4' energy: -111.722
flat angles P-C4'-P energy: -74.231
tors. eta vs tors. theta energy: -128.958
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: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1676.161351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.161351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.161351 (E_RNA)
where:
Base-Base interactions energy: -1186.005
where: short stacking energy: -476.714
Base-Backbone interact. energy: -2.090
local terms energy: -488.066314
where:
bonds (distance) C4'-P energy: -101.047
bonds (distance) P-C4' energy: -85.265
flat angles C4'-P-C4' energy: -109.285
flat angles P-C4'-P energy: -67.657
tors. eta vs tors. theta energy: -124.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1575.607028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.607028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.607028 (E_RNA)
where:
Base-Base interactions energy: -1121.989
where: short stacking energy: -455.549
Base-Backbone interact. energy: -1.200
local terms energy: -452.418598
where:
bonds (distance) C4'-P energy: -69.201
bonds (distance) P-C4' energy: -86.740
flat angles C4'-P-C4' energy: -109.543
flat angles P-C4'-P energy: -71.239
tors. eta vs tors. theta energy: -115.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1411.974012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.974012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.974012 (E_RNA)
where:
Base-Base interactions energy: -999.014
where: short stacking energy: -407.357
Base-Backbone interact. energy: 0.207
local terms energy: -413.166721
where:
bonds (distance) C4'-P energy: -74.251
bonds (distance) P-C4' energy: -92.976
flat angles C4'-P-C4' energy: -75.672
flat angles P-C4'-P energy: -70.629
tors. eta vs tors. theta energy: -99.639
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: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1337.294147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.294147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.294147 (E_RNA)
where:
Base-Base interactions energy: -880.070
where: short stacking energy: -408.942
Base-Backbone interact. energy: -0.877
local terms energy: -456.347015
where:
bonds (distance) C4'-P energy: -94.709
bonds (distance) P-C4' energy: -84.099
flat angles C4'-P-C4' energy: -105.131
flat angles P-C4'-P energy: -65.846
tors. eta vs tors. theta energy: -106.562
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: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1166.369423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.369423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.369423 (E_RNA)
where:
Base-Base interactions energy: -779.531
where: short stacking energy: -338.640
Base-Backbone interact. energy: -2.264
local terms energy: -384.574368
where:
bonds (distance) C4'-P energy: -75.887
bonds (distance) P-C4' energy: -99.509
flat angles C4'-P-C4' energy: -81.085
flat angles P-C4'-P energy: -62.408
tors. eta vs tors. theta energy: -65.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -864.244585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.244585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.244585 (E_RNA)
where:
Base-Base interactions energy: -525.565
where: short stacking energy: -243.605
Base-Backbone interact. energy: 0.895
local terms energy: -339.574761
where:
bonds (distance) C4'-P energy: -76.777
bonds (distance) P-C4' energy: -89.451
flat angles C4'-P-C4' energy: -83.275
flat angles P-C4'-P energy: -52.691
tors. eta vs tors. theta energy: -37.381
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: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -585.963034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.963034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.963034 (E_RNA)
where:
Base-Base interactions energy: -290.770
where: short stacking energy: -169.693
Base-Backbone interact. energy: 7.268
local terms energy: -302.460672
where:
bonds (distance) C4'-P energy: -87.756
bonds (distance) P-C4' energy: -84.476
flat angles C4'-P-C4' energy: -84.566
flat angles P-C4'-P energy: -45.767
tors. eta vs tors. theta energy: 0.105
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: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1794.845856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.845856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.845856 (E_RNA)
where:
Base-Base interactions energy: -1279.680
where: short stacking energy: -521.386
Base-Backbone interact. energy: -2.205
local terms energy: -512.960152
where:
bonds (distance) C4'-P energy: -92.587
bonds (distance) P-C4' energy: -101.153
flat angles C4'-P-C4' energy: -119.748
flat angles P-C4'-P energy: -69.691
tors. eta vs tors. theta energy: -129.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1755.213783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.213783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.213783 (E_RNA)
where:
Base-Base interactions energy: -1210.289
where: short stacking energy: -523.101
Base-Backbone interact. energy: -1.340
local terms energy: -543.584936
where:
bonds (distance) C4'-P energy: -98.451
bonds (distance) P-C4' energy: -100.522
flat angles C4'-P-C4' energy: -118.514
flat angles P-C4'-P energy: -77.890
tors. eta vs tors. theta energy: -148.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1694.461545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.461545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.461545 (E_RNA)
where:
Base-Base interactions energy: -1202.948
where: short stacking energy: -480.217
Base-Backbone interact. energy: -1.184
local terms energy: -490.330221
where:
bonds (distance) C4'-P energy: -104.211
bonds (distance) P-C4' energy: -91.085
flat angles C4'-P-C4' energy: -101.587
flat angles P-C4'-P energy: -69.670
tors. eta vs tors. theta energy: -123.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1679.773462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.773462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.773462 (E_RNA)
where:
Base-Base interactions energy: -1193.887
where: short stacking energy: -494.779
Base-Backbone interact. energy: 0.545
local terms energy: -486.431873
where:
bonds (distance) C4'-P energy: -78.689
bonds (distance) P-C4' energy: -104.686
flat angles C4'-P-C4' energy: -105.902
flat angles P-C4'-P energy: -69.546
tors. eta vs tors. theta energy: -127.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1597.511653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.511653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.511653 (E_RNA)
where:
Base-Base interactions energy: -1127.254
where: short stacking energy: -460.611
Base-Backbone interact. energy: 3.088
local terms energy: -473.345489
where:
bonds (distance) C4'-P energy: -97.254
bonds (distance) P-C4' energy: -97.529
flat angles C4'-P-C4' energy: -97.289
flat angles P-C4'-P energy: -59.157
tors. eta vs tors. theta energy: -122.116
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: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1399.825253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.825253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.825253 (E_RNA)
where:
Base-Base interactions energy: -970.334
where: short stacking energy: -389.717
Base-Backbone interact. energy: -3.651
local terms energy: -425.839824
where:
bonds (distance) C4'-P energy: -86.407
bonds (distance) P-C4' energy: -86.641
flat angles C4'-P-C4' energy: -88.362
flat angles P-C4'-P energy: -68.379
tors. eta vs tors. theta energy: -96.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1288.532196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.532196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.532196 (E_RNA)
where:
Base-Base interactions energy: -887.058
where: short stacking energy: -379.165
Base-Backbone interact. energy: -0.751
local terms energy: -400.723113
where:
bonds (distance) C4'-P energy: -88.697
bonds (distance) P-C4' energy: -68.514
flat angles C4'-P-C4' energy: -91.872
flat angles P-C4'-P energy: -58.372
tors. eta vs tors. theta energy: -93.268
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: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1238.743664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.743664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.743664 (E_RNA)
where:
Base-Base interactions energy: -823.380
where: short stacking energy: -344.600
Base-Backbone interact. energy: 1.572
local terms energy: -416.935599
where:
bonds (distance) C4'-P energy: -97.118
bonds (distance) P-C4' energy: -91.576
flat angles C4'-P-C4' energy: -97.973
flat angles P-C4'-P energy: -49.012
tors. eta vs tors. theta energy: -81.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -921.140617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.140617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.140617 (E_RNA)
where:
Base-Base interactions energy: -591.311
where: short stacking energy: -256.624
Base-Backbone interact. energy: -0.248
local terms energy: -329.581524
where:
bonds (distance) C4'-P energy: -76.487
bonds (distance) P-C4' energy: -83.352
flat angles C4'-P-C4' energy: -86.509
flat angles P-C4'-P energy: -46.807
tors. eta vs tors. theta energy: -36.427
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: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -569.380316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.380316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.380316 (E_RNA)
where:
Base-Base interactions energy: -285.331
where: short stacking energy: -180.712
Base-Backbone interact. energy: -3.261
local terms energy: -280.787533
where:
bonds (distance) C4'-P energy: -80.119
bonds (distance) P-C4' energy: -68.829
flat angles C4'-P-C4' energy: -81.571
flat angles P-C4'-P energy: -45.848
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1809.039019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.039019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.039019 (E_RNA)
where:
Base-Base interactions energy: -1265.466
where: short stacking energy: -494.894
Base-Backbone interact. energy: -5.824
local terms energy: -537.748930
where:
bonds (distance) C4'-P energy: -108.617
bonds (distance) P-C4' energy: -103.958
flat angles C4'-P-C4' energy: -109.892
flat angles P-C4'-P energy: -75.716
tors. eta vs tors. theta energy: -139.566
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: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1775.123219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.123219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.123219 (E_RNA)
where:
Base-Base interactions energy: -1240.656
where: short stacking energy: -512.754
Base-Backbone interact. energy: -4.334
local terms energy: -530.133107
where:
bonds (distance) C4'-P energy: -99.682
bonds (distance) P-C4' energy: -108.894
flat angles C4'-P-C4' energy: -114.244
flat angles P-C4'-P energy: -62.309
tors. eta vs tors. theta energy: -145.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1724.662090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.662090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.662090 (E_RNA)
where:
Base-Base interactions energy: -1221.928
where: short stacking energy: -519.005
Base-Backbone interact. energy: -0.058
local terms energy: -502.676515
where:
bonds (distance) C4'-P energy: -102.497
bonds (distance) P-C4' energy: -95.335
flat angles C4'-P-C4' energy: -107.215
flat angles P-C4'-P energy: -54.594
tors. eta vs tors. theta energy: -143.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1670.900298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.900298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.900298 (E_RNA)
where:
Base-Base interactions energy: -1174.845
where: short stacking energy: -477.847
Base-Backbone interact. energy: -3.396
local terms energy: -492.659668
where:
bonds (distance) C4'-P energy: -90.919
bonds (distance) P-C4' energy: -95.832
flat angles C4'-P-C4' energy: -102.014
flat angles P-C4'-P energy: -78.866
tors. eta vs tors. theta energy: -125.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1561.643730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.643730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.643730 (E_RNA)
where:
Base-Base interactions energy: -1086.351
where: short stacking energy: -422.173
Base-Backbone interact. energy: -2.512
local terms energy: -472.780987
where:
bonds (distance) C4'-P energy: -96.131
bonds (distance) P-C4' energy: -95.871
flat angles C4'-P-C4' energy: -108.429
flat angles P-C4'-P energy: -59.326
tors. eta vs tors. theta energy: -113.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1454.926021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.926021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.926021 (E_RNA)
where:
Base-Base interactions energy: -1010.298
where: short stacking energy: -393.831
Base-Backbone interact. energy: -1.942
local terms energy: -442.685206
where:
bonds (distance) C4'-P energy: -93.869
bonds (distance) P-C4' energy: -89.851
flat angles C4'-P-C4' energy: -95.010
flat angles P-C4'-P energy: -70.030
tors. eta vs tors. theta energy: -93.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1329.013172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.013172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.013172 (E_RNA)
where:
Base-Base interactions energy: -897.922
where: short stacking energy: -397.944
Base-Backbone interact. energy: 1.806
local terms energy: -432.897485
where:
bonds (distance) C4'-P energy: -74.665
bonds (distance) P-C4' energy: -93.754
flat angles C4'-P-C4' energy: -97.463
flat angles P-C4'-P energy: -60.349
tors. eta vs tors. theta energy: -106.666
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: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1245.282406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.282406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.282406 (E_RNA)
where:
Base-Base interactions energy: -841.017
where: short stacking energy: -329.587
Base-Backbone interact. energy: -1.276
local terms energy: -402.989253
where:
bonds (distance) C4'-P energy: -91.720
bonds (distance) P-C4' energy: -94.706
flat angles C4'-P-C4' energy: -77.547
flat angles P-C4'-P energy: -65.230
tors. eta vs tors. theta energy: -73.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -924.155994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.155994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.155994 (E_RNA)
where:
Base-Base interactions energy: -583.293
where: short stacking energy: -269.074
Base-Backbone interact. energy: -1.331
local terms energy: -339.531528
where:
bonds (distance) C4'-P energy: -57.651
bonds (distance) P-C4' energy: -91.076
flat angles C4'-P-C4' energy: -88.232
flat angles P-C4'-P energy: -61.239
tors. eta vs tors. theta energy: -41.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -553.947145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.947145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.947145 (E_RNA)
where:
Base-Base interactions energy: -295.954
where: short stacking energy: -166.422
Base-Backbone interact. energy: -0.139
local terms energy: -257.854118
where:
bonds (distance) C4'-P energy: -86.168
bonds (distance) P-C4' energy: -79.735
flat angles C4'-P-C4' energy: -73.112
flat angles P-C4'-P energy: -31.308
tors. eta vs tors. theta energy: 12.469
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: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1826.336799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.336799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.336799 (E_RNA)
where:
Base-Base interactions energy: -1284.782
where: short stacking energy: -529.969
Base-Backbone interact. energy: -2.149
local terms energy: -539.405679
where:
bonds (distance) C4'-P energy: -97.194
bonds (distance) P-C4' energy: -111.413
flat angles C4'-P-C4' energy: -121.933
flat angles P-C4'-P energy: -68.473
tors. eta vs tors. theta energy: -140.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1775.059800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.059800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.059800 (E_RNA)
where:
Base-Base interactions energy: -1246.642
where: short stacking energy: -521.087
Base-Backbone interact. energy: 1.154
local terms energy: -529.571461
where:
bonds (distance) C4'-P energy: -96.127
bonds (distance) P-C4' energy: -110.186
flat angles C4'-P-C4' energy: -117.609
flat angles P-C4'-P energy: -70.278
tors. eta vs tors. theta energy: -135.372
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: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1745.829635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.829635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.829635 (E_RNA)
where:
Base-Base interactions energy: -1221.484
where: short stacking energy: -517.129
Base-Backbone interact. energy: 1.262
local terms energy: -525.607918
where:
bonds (distance) C4'-P energy: -84.539
bonds (distance) P-C4' energy: -96.192
flat angles C4'-P-C4' energy: -112.776
flat angles P-C4'-P energy: -83.909
tors. eta vs tors. theta energy: -148.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1645.163431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.163431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.163431 (E_RNA)
where:
Base-Base interactions energy: -1164.223
where: short stacking energy: -444.786
Base-Backbone interact. energy: -4.592
local terms energy: -476.347907
where:
bonds (distance) C4'-P energy: -92.238
bonds (distance) P-C4' energy: -84.781
flat angles C4'-P-C4' energy: -114.953
flat angles P-C4'-P energy: -63.823
tors. eta vs tors. theta energy: -120.553
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: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1534.351042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.351042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.351042 (E_RNA)
where:
Base-Base interactions energy: -1054.943
where: short stacking energy: -434.406
Base-Backbone interact. energy: -0.798
local terms energy: -478.609572
where:
bonds (distance) C4'-P energy: -86.403
bonds (distance) P-C4' energy: -97.666
flat angles C4'-P-C4' energy: -117.375
flat angles P-C4'-P energy: -67.696
tors. eta vs tors. theta energy: -109.470
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: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1484.940341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.940341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.940341 (E_RNA)
where:
Base-Base interactions energy: -1050.863
where: short stacking energy: -407.859
Base-Backbone interact. energy: -0.835
local terms energy: -433.241842
where:
bonds (distance) C4'-P energy: -89.396
bonds (distance) P-C4' energy: -82.676
flat angles C4'-P-C4' energy: -77.491
flat angles P-C4'-P energy: -77.504
tors. eta vs tors. theta energy: -106.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1304.509163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.509163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.509163 (E_RNA)
where:
Base-Base interactions energy: -885.058
where: short stacking energy: -362.804
Base-Backbone interact. energy: 0.968
local terms energy: -420.418690
where:
bonds (distance) C4'-P energy: -87.302
bonds (distance) P-C4' energy: -88.195
flat angles C4'-P-C4' energy: -97.105
flat angles P-C4'-P energy: -52.314
tors. eta vs tors. theta energy: -95.502
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: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1207.309198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.309198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.309198 (E_RNA)
where:
Base-Base interactions energy: -791.340
where: short stacking energy: -337.419
Base-Backbone interact. energy: 0.015
local terms energy: -415.984374
where:
bonds (distance) C4'-P energy: -85.003
bonds (distance) P-C4' energy: -104.414
flat angles C4'-P-C4' energy: -93.634
flat angles P-C4'-P energy: -61.144
tors. eta vs tors. theta energy: -71.790
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: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -917.924157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.924157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.924157 (E_RNA)
where:
Base-Base interactions energy: -580.378
where: short stacking energy: -265.693
Base-Backbone interact. energy: 1.746
local terms energy: -339.292379
where:
bonds (distance) C4'-P energy: -68.513
bonds (distance) P-C4' energy: -83.715
flat angles C4'-P-C4' energy: -85.682
flat angles P-C4'-P energy: -54.759
tors. eta vs tors. theta energy: -46.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -600.834882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.834882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.834882 (E_RNA)
where:
Base-Base interactions energy: -315.955
where: short stacking energy: -193.271
Base-Backbone interact. energy: -0.799
local terms energy: -284.080820
where:
bonds (distance) C4'-P energy: -71.049
bonds (distance) P-C4' energy: -90.313
flat angles C4'-P-C4' energy: -74.505
flat angles P-C4'-P energy: -39.349
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1844.287735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.287735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.287735 (E_RNA)
where:
Base-Base interactions energy: -1293.711
where: short stacking energy: -541.604
Base-Backbone interact. energy: -2.319
local terms energy: -548.258205
where:
bonds (distance) C4'-P energy: -101.200
bonds (distance) P-C4' energy: -114.671
flat angles C4'-P-C4' energy: -123.447
flat angles P-C4'-P energy: -68.921
tors. eta vs tors. theta energy: -140.019
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: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1783.241760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.241760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.241760 (E_RNA)
where:
Base-Base interactions energy: -1254.365
where: short stacking energy: -511.291
Base-Backbone interact. energy: -1.802
local terms energy: -527.074259
where:
bonds (distance) C4'-P energy: -105.760
bonds (distance) P-C4' energy: -95.896
flat angles C4'-P-C4' energy: -100.653
flat angles P-C4'-P energy: -81.635
tors. eta vs tors. theta energy: -143.130
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: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1742.532365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.532365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.532365 (E_RNA)
where:
Base-Base interactions energy: -1197.365
where: short stacking energy: -511.265
Base-Backbone interact. energy: -2.156
local terms energy: -543.012119
where:
bonds (distance) C4'-P energy: -99.905
bonds (distance) P-C4' energy: -106.292
flat angles C4'-P-C4' energy: -110.594
flat angles P-C4'-P energy: -82.340
tors. eta vs tors. theta energy: -143.880
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: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1657.856800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.856800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.856800 (E_RNA)
where:
Base-Base interactions energy: -1175.231
where: short stacking energy: -458.306
Base-Backbone interact. energy: -1.649
local terms energy: -480.976645
where:
bonds (distance) C4'-P energy: -90.974
bonds (distance) P-C4' energy: -110.761
flat angles C4'-P-C4' energy: -102.003
flat angles P-C4'-P energy: -60.773
tors. eta vs tors. theta energy: -116.465
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: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1546.554078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.554078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.554078 (E_RNA)
where:
Base-Base interactions energy: -1087.743
where: short stacking energy: -424.288
Base-Backbone interact. energy: 0.013
local terms energy: -458.823398
where:
bonds (distance) C4'-P energy: -88.163
bonds (distance) P-C4' energy: -89.255
flat angles C4'-P-C4' energy: -104.614
flat angles P-C4'-P energy: -73.198
tors. eta vs tors. theta energy: -103.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1476.283707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.283707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.283707 (E_RNA)
where:
Base-Base interactions energy: -1022.189
where: short stacking energy: -389.331
Base-Backbone interact. energy: -3.834
local terms energy: -450.260542
where:
bonds (distance) C4'-P energy: -83.467
bonds (distance) P-C4' energy: -103.213
flat angles C4'-P-C4' energy: -104.839
flat angles P-C4'-P energy: -65.529
tors. eta vs tors. theta energy: -93.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1307.173014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.173014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.173014 (E_RNA)
where:
Base-Base interactions energy: -894.588
where: short stacking energy: -380.561
Base-Backbone interact. energy: -2.847
local terms energy: -409.737609
where:
bonds (distance) C4'-P energy: -87.185
bonds (distance) P-C4' energy: -82.030
flat angles C4'-P-C4' energy: -89.354
flat angles P-C4'-P energy: -56.530
tors. eta vs tors. theta energy: -94.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1185.105236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.105236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.105236 (E_RNA)
where:
Base-Base interactions energy: -783.005
where: short stacking energy: -326.847
Base-Backbone interact. energy: -3.092
local terms energy: -399.008633
where:
bonds (distance) C4'-P energy: -78.985
bonds (distance) P-C4' energy: -91.014
flat angles C4'-P-C4' energy: -101.669
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: -85.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -922.613410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.613410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.613410 (E_RNA)
where:
Base-Base interactions energy: -574.441
where: short stacking energy: -289.887
Base-Backbone interact. energy: 0.833
local terms energy: -349.005365
where:
bonds (distance) C4'-P energy: -86.979
bonds (distance) P-C4' energy: -74.311
flat angles C4'-P-C4' energy: -86.052
flat angles P-C4'-P energy: -53.510
tors. eta vs tors. theta energy: -48.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -600.114190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.114190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.114190 (E_RNA)
where:
Base-Base interactions energy: -313.987
where: short stacking energy: -160.817
Base-Backbone interact. energy: 2.252
local terms energy: -288.379332
where:
bonds (distance) C4'-P energy: -81.660
bonds (distance) P-C4' energy: -67.742
flat angles C4'-P-C4' energy: -72.720
flat angles P-C4'-P energy: -61.712
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1825.839609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.839609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.839609 (E_RNA)
where:
Base-Base interactions energy: -1278.728
where: short stacking energy: -520.022
Base-Backbone interact. energy: -3.869
local terms energy: -543.242354
where:
bonds (distance) C4'-P energy: -102.290
bonds (distance) P-C4' energy: -104.889
flat angles C4'-P-C4' energy: -118.083
flat angles P-C4'-P energy: -71.589
tors. eta vs tors. theta energy: -146.391
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: 284
Temperature: 0.950000
Total energy: -1783.325503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.325503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.325503 (E_RNA)
where:
Base-Base interactions energy: -1251.475
where: short stacking energy: -507.356
Base-Backbone interact. energy: -2.872
local terms energy: -528.978040
where:
bonds (distance) C4'-P energy: -95.372
bonds (distance) P-C4' energy: -115.010
flat angles C4'-P-C4' energy: -98.207
flat angles P-C4'-P energy: -75.854
tors. eta vs tors. theta energy: -144.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1710.115895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.115895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.115895 (E_RNA)
where:
Base-Base interactions energy: -1202.372
where: short stacking energy: -505.001
Base-Backbone interact. energy: -1.962
local terms energy: -505.781342
where:
bonds (distance) C4'-P energy: -86.895
bonds (distance) P-C4' energy: -102.890
flat angles C4'-P-C4' energy: -108.934
flat angles P-C4'-P energy: -67.775
tors. eta vs tors. theta energy: -139.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1692.993051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.993051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.993051 (E_RNA)
where:
Base-Base interactions energy: -1199.708
where: short stacking energy: -487.586
Base-Backbone interact. energy: -2.600
local terms energy: -490.685163
where:
bonds (distance) C4'-P energy: -78.000
bonds (distance) P-C4' energy: -88.944
flat angles C4'-P-C4' energy: -118.806
flat angles P-C4'-P energy: -78.682
tors. eta vs tors. theta energy: -126.253
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: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1569.299704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.299704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.299704 (E_RNA)
where:
Base-Base interactions energy: -1111.965
where: short stacking energy: -445.772
Base-Backbone interact. energy: -1.926
local terms energy: -455.408235
where:
bonds (distance) C4'-P energy: -92.153
bonds (distance) P-C4' energy: -82.937
flat angles C4'-P-C4' energy: -105.946
flat angles P-C4'-P energy: -62.432
tors. eta vs tors. theta energy: -111.940
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: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1458.150803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.150803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.150803 (E_RNA)
where:
Base-Base interactions energy: -1035.741
where: short stacking energy: -397.085
Base-Backbone interact. energy: 0.912
local terms energy: -423.321860
where:
bonds (distance) C4'-P energy: -84.999
bonds (distance) P-C4' energy: -97.198
flat angles C4'-P-C4' energy: -85.324
flat angles P-C4'-P energy: -60.162
tors. eta vs tors. theta energy: -95.639
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: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1312.893853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.893853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.893853 (E_RNA)
where:
Base-Base interactions energy: -871.970
where: short stacking energy: -378.282
Base-Backbone interact. energy: -2.893
local terms energy: -438.030809
where:
bonds (distance) C4'-P energy: -88.704
bonds (distance) P-C4' energy: -83.664
flat angles C4'-P-C4' energy: -109.276
flat angles P-C4'-P energy: -65.169
tors. eta vs tors. theta energy: -91.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1166.359501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.359501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.359501 (E_RNA)
where:
Base-Base interactions energy: -761.004
where: short stacking energy: -330.629
Base-Backbone interact. energy: -1.412
local terms energy: -403.943279
where:
bonds (distance) C4'-P energy: -88.181
bonds (distance) P-C4' energy: -85.900
flat angles C4'-P-C4' energy: -93.358
flat angles P-C4'-P energy: -64.177
tors. eta vs tors. theta energy: -72.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -900.645856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.645856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.645856 (E_RNA)
where:
Base-Base interactions energy: -563.065
where: short stacking energy: -275.253
Base-Backbone interact. energy: 3.011
local terms energy: -340.591849
where:
bonds (distance) C4'-P energy: -74.950
bonds (distance) P-C4' energy: -88.877
flat angles C4'-P-C4' energy: -93.186
flat angles P-C4'-P energy: -34.721
tors. eta vs tors. theta energy: -48.858
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: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -634.156312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.156312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.156312 (E_RNA)
where:
Base-Base interactions energy: -329.779
where: short stacking energy: -179.121
Base-Backbone interact. energy: -0.102
local terms energy: -304.274844
where:
bonds (distance) C4'-P energy: -82.411
bonds (distance) P-C4' energy: -92.786
flat angles C4'-P-C4' energy: -78.648
flat angles P-C4'-P energy: -43.820
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1820.234315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.234315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.234315 (E_RNA)
where:
Base-Base interactions energy: -1272.190
where: short stacking energy: -518.019
Base-Backbone interact. energy: -2.974
local terms energy: -545.070350
where:
bonds (distance) C4'-P energy: -100.584
bonds (distance) P-C4' energy: -106.377
flat angles C4'-P-C4' energy: -117.967
flat angles P-C4'-P energy: -78.225
tors. eta vs tors. theta energy: -141.916
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: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1759.202869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.202869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.202869 (E_RNA)
where:
Base-Base interactions energy: -1237.416
where: short stacking energy: -502.573
Base-Backbone interact. energy: -0.942
local terms energy: -520.844864
where:
bonds (distance) C4'-P energy: -96.546
bonds (distance) P-C4' energy: -100.947
flat angles C4'-P-C4' energy: -107.720
flat angles P-C4'-P energy: -75.520
tors. eta vs tors. theta energy: -140.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1699.567572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.567572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.567572 (E_RNA)
where:
Base-Base interactions energy: -1177.023
where: short stacking energy: -499.109
Base-Backbone interact. energy: -4.146
local terms energy: -518.398058
where:
bonds (distance) C4'-P energy: -98.452
bonds (distance) P-C4' energy: -97.063
flat angles C4'-P-C4' energy: -112.917
flat angles P-C4'-P energy: -66.867
tors. eta vs tors. theta energy: -143.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1689.068449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.068449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.068449 (E_RNA)
where:
Base-Base interactions energy: -1207.913
where: short stacking energy: -484.199
Base-Backbone interact. energy: -1.919
local terms energy: -479.236875
where:
bonds (distance) C4'-P energy: -83.240
bonds (distance) P-C4' energy: -102.596
flat angles C4'-P-C4' energy: -105.967
flat angles P-C4'-P energy: -66.210
tors. eta vs tors. theta energy: -121.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1547.323675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.323675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.323675 (E_RNA)
where:
Base-Base interactions energy: -1076.456
where: short stacking energy: -444.124
Base-Backbone interact. energy: -2.563
local terms energy: -468.304413
where:
bonds (distance) C4'-P energy: -86.584
bonds (distance) P-C4' energy: -101.701
flat angles C4'-P-C4' energy: -100.900
flat angles P-C4'-P energy: -57.440
tors. eta vs tors. theta energy: -121.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1470.770779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.770779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.770779 (E_RNA)
where:
Base-Base interactions energy: -1032.149
where: short stacking energy: -413.042
Base-Backbone interact. energy: 1.030
local terms energy: -439.651781
where:
bonds (distance) C4'-P energy: -85.715
bonds (distance) P-C4' energy: -90.042
flat angles C4'-P-C4' energy: -106.895
flat angles P-C4'-P energy: -64.159
tors. eta vs tors. theta energy: -92.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1357.332381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.332381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.332381 (E_RNA)
where:
Base-Base interactions energy: -959.680
where: short stacking energy: -402.298
Base-Backbone interact. energy: -0.072
local terms energy: -397.579900
where:
bonds (distance) C4'-P energy: -64.836
bonds (distance) P-C4' energy: -92.274
flat angles C4'-P-C4' energy: -89.293
flat angles P-C4'-P energy: -58.737
tors. eta vs tors. theta energy: -92.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1160.716809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.716809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.716809 (E_RNA)
where:
Base-Base interactions energy: -770.373
where: short stacking energy: -302.127
Base-Backbone interact. energy: 1.098
local terms energy: -391.441988
where:
bonds (distance) C4'-P energy: -80.218
bonds (distance) P-C4' energy: -85.549
flat angles C4'-P-C4' energy: -92.347
flat angles P-C4'-P energy: -64.650
tors. eta vs tors. theta energy: -68.678
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: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -851.907384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.907384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.907384 (E_RNA)
where:
Base-Base interactions energy: -525.848
where: short stacking energy: -233.255
Base-Backbone interact. energy: -2.818
local terms energy: -323.241916
where:
bonds (distance) C4'-P energy: -84.950
bonds (distance) P-C4' energy: -85.768
flat angles C4'-P-C4' energy: -81.863
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: -24.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -585.947938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.947938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.947938 (E_RNA)
where:
Base-Base interactions energy: -319.247
where: short stacking energy: -157.915
Base-Backbone interact. energy: -0.279
local terms energy: -266.421499
where:
bonds (distance) C4'-P energy: -66.628
bonds (distance) P-C4' energy: -81.061
flat angles C4'-P-C4' energy: -74.046
flat angles P-C4'-P energy: -53.715
tors. eta vs tors. theta energy: 9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1833.321743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.321743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.321743 (E_RNA)
where:
Base-Base interactions energy: -1275.449
where: short stacking energy: -532.280
Base-Backbone interact. energy: -2.986
local terms energy: -554.886180
where:
bonds (distance) C4'-P energy: -99.565
bonds (distance) P-C4' energy: -105.223
flat angles C4'-P-C4' energy: -112.471
flat angles P-C4'-P energy: -88.507
tors. eta vs tors. theta energy: -149.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1750.663831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.663831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.663831 (E_RNA)
where:
Base-Base interactions energy: -1212.297
where: short stacking energy: -481.899
Base-Backbone interact. energy: -2.213
local terms energy: -536.154554
where:
bonds (distance) C4'-P energy: -106.196
bonds (distance) P-C4' energy: -97.801
flat angles C4'-P-C4' energy: -119.372
flat angles P-C4'-P energy: -77.560
tors. eta vs tors. theta energy: -135.225
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: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1738.781883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.781883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.781883 (E_RNA)
where:
Base-Base interactions energy: -1233.957
where: short stacking energy: -495.759
Base-Backbone interact. energy: -2.620
local terms energy: -502.204814
where:
bonds (distance) C4'-P energy: -84.920
bonds (distance) P-C4' energy: -98.235
flat angles C4'-P-C4' energy: -119.943
flat angles P-C4'-P energy: -71.179
tors. eta vs tors. theta energy: -127.928
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: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1683.532526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.532526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.532526 (E_RNA)
where:
Base-Base interactions energy: -1183.391
where: short stacking energy: -492.838
Base-Backbone interact. energy: -2.428
local terms energy: -497.713659
where:
bonds (distance) C4'-P energy: -80.369
bonds (distance) P-C4' energy: -106.729
flat angles C4'-P-C4' energy: -110.433
flat angles P-C4'-P energy: -64.083
tors. eta vs tors. theta energy: -136.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1531.868218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.868218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.868218 (E_RNA)
where:
Base-Base interactions energy: -1059.944
where: short stacking energy: -420.076
Base-Backbone interact. energy: 0.537
local terms energy: -472.461440
where:
bonds (distance) C4'-P energy: -89.713
bonds (distance) P-C4' energy: -104.596
flat angles C4'-P-C4' energy: -96.086
flat angles P-C4'-P energy: -73.977
tors. eta vs tors. theta energy: -108.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1395.483493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.483493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.483493 (E_RNA)
where:
Base-Base interactions energy: -977.571
where: short stacking energy: -375.247
Base-Backbone interact. energy: -1.843
local terms energy: -416.069041
where:
bonds (distance) C4'-P energy: -81.691
bonds (distance) P-C4' energy: -86.116
flat angles C4'-P-C4' energy: -101.744
flat angles P-C4'-P energy: -55.439
tors. eta vs tors. theta energy: -91.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1353.904764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.904764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.904764 (E_RNA)
where:
Base-Base interactions energy: -924.733
where: short stacking energy: -419.029
Base-Backbone interact. energy: 3.280
local terms energy: -432.451448
where:
bonds (distance) C4'-P energy: -77.913
bonds (distance) P-C4' energy: -88.745
flat angles C4'-P-C4' energy: -93.918
flat angles P-C4'-P energy: -65.093
tors. eta vs tors. theta energy: -106.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1236.153267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.153267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.153267 (E_RNA)
where:
Base-Base interactions energy: -847.529
where: short stacking energy: -335.892
Base-Backbone interact. energy: 0.652
local terms energy: -389.276110
where:
bonds (distance) C4'-P energy: -77.225
bonds (distance) P-C4' energy: -95.293
flat angles C4'-P-C4' energy: -89.497
flat angles P-C4'-P energy: -59.155
tors. eta vs tors. theta energy: -68.107
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: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -904.806189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.806189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.806189 (E_RNA)
where:
Base-Base interactions energy: -544.690
where: short stacking energy: -272.881
Base-Backbone interact. energy: 4.305
local terms energy: -364.421662
where:
bonds (distance) C4'-P energy: -103.224
bonds (distance) P-C4' energy: -76.455
flat angles C4'-P-C4' energy: -73.255
flat angles P-C4'-P energy: -56.092
tors. eta vs tors. theta energy: -55.396
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: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -622.891301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.891301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.891301 (E_RNA)
where:
Base-Base interactions energy: -332.678
where: short stacking energy: -167.091
Base-Backbone interact. energy: -2.086
local terms energy: -288.126419
where:
bonds (distance) C4'-P energy: -84.161
bonds (distance) P-C4' energy: -81.831
flat angles C4'-P-C4' energy: -76.224
flat angles P-C4'-P energy: -35.844
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1836.827059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.827059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.827059 (E_RNA)
where:
Base-Base interactions energy: -1308.283
where: short stacking energy: -537.100
Base-Backbone interact. energy: -0.592
local terms energy: -527.951722
where:
bonds (distance) C4'-P energy: -94.390
bonds (distance) P-C4' energy: -102.344
flat angles C4'-P-C4' energy: -113.934
flat angles P-C4'-P energy: -76.918
tors. eta vs tors. theta energy: -140.366
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: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1751.310133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.310133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.310133 (E_RNA)
where:
Base-Base interactions energy: -1228.546
where: short stacking energy: -500.273
Base-Backbone interact. energy: 0.091
local terms energy: -522.855457
where:
bonds (distance) C4'-P energy: -89.129
bonds (distance) P-C4' energy: -107.860
flat angles C4'-P-C4' energy: -111.366
flat angles P-C4'-P energy: -73.437
tors. eta vs tors. theta energy: -141.062
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: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1742.986414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.986414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.986414 (E_RNA)
where:
Base-Base interactions energy: -1228.252
where: short stacking energy: -493.116
Base-Backbone interact. energy: -1.992
local terms energy: -512.741923
where:
bonds (distance) C4'-P energy: -91.138
bonds (distance) P-C4' energy: -100.725
flat angles C4'-P-C4' energy: -112.622
flat angles P-C4'-P energy: -74.633
tors. eta vs tors. theta energy: -133.625
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: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1653.605476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.605476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.605476 (E_RNA)
where:
Base-Base interactions energy: -1130.003
where: short stacking energy: -458.717
Base-Backbone interact. energy: -3.080
local terms energy: -520.523122
where:
bonds (distance) C4'-P energy: -85.236
bonds (distance) P-C4' energy: -101.289
flat angles C4'-P-C4' energy: -115.033
flat angles P-C4'-P energy: -84.096
tors. eta vs tors. theta energy: -134.869
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: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1532.387779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.387779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.387779 (E_RNA)
where:
Base-Base interactions energy: -1085.194
where: short stacking energy: -435.580
Base-Backbone interact. energy: -2.701
local terms energy: -444.492835
where:
bonds (distance) C4'-P energy: -80.433
bonds (distance) P-C4' energy: -87.699
flat angles C4'-P-C4' energy: -99.227
flat angles P-C4'-P energy: -71.080
tors. eta vs tors. theta energy: -106.055
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: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1413.614485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.614485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.614485 (E_RNA)
where:
Base-Base interactions energy: -1009.672
where: short stacking energy: -371.822
Base-Backbone interact. energy: 1.869
local terms energy: -405.810909
where:
bonds (distance) C4'-P energy: -77.444
bonds (distance) P-C4' energy: -79.275
flat angles C4'-P-C4' energy: -96.189
flat angles P-C4'-P energy: -62.405
tors. eta vs tors. theta energy: -90.498
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: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1369.660574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.660574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.660574 (E_RNA)
where:
Base-Base interactions energy: -944.667
where: short stacking energy: -389.181
Base-Backbone interact. energy: 1.908
local terms energy: -426.901107
where:
bonds (distance) C4'-P energy: -90.474
bonds (distance) P-C4' energy: -78.588
flat angles C4'-P-C4' energy: -90.533
flat angles P-C4'-P energy: -67.938
tors. eta vs tors. theta energy: -99.367
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: 287
Temperature: 1.250000
Total energy: -1201.105438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.105438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.105438 (E_RNA)
where:
Base-Base interactions energy: -801.447
where: short stacking energy: -346.568
Base-Backbone interact. energy: 1.368
local terms energy: -401.026261
where:
bonds (distance) C4'-P energy: -80.502
bonds (distance) P-C4' energy: -94.831
flat angles C4'-P-C4' energy: -95.342
flat angles P-C4'-P energy: -67.008
tors. eta vs tors. theta energy: -63.345
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: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -909.117219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.117219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.117219 (E_RNA)
where:
Base-Base interactions energy: -563.843
where: short stacking energy: -261.300
Base-Backbone interact. energy: 0.311
local terms energy: -345.585028
where:
bonds (distance) C4'-P energy: -79.334
bonds (distance) P-C4' energy: -89.470
flat angles C4'-P-C4' energy: -74.007
flat angles P-C4'-P energy: -59.829
tors. eta vs tors. theta energy: -42.945
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: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -623.239816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.239816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.239816 (E_RNA)
where:
Base-Base interactions energy: -329.944
where: short stacking energy: -170.902
Base-Backbone interact. energy: 4.707
local terms energy: -298.002900
where:
bonds (distance) C4'-P energy: -81.008
bonds (distance) P-C4' energy: -87.487
flat angles C4'-P-C4' energy: -77.109
flat angles P-C4'-P energy: -47.869
tors. eta vs tors. theta energy: -4.530
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: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1840.859079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.859079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.859079 (E_RNA)
where:
Base-Base interactions energy: -1298.149
where: short stacking energy: -537.468
Base-Backbone interact. energy: 2.052
local terms energy: -544.761562
where:
bonds (distance) C4'-P energy: -102.849
bonds (distance) P-C4' energy: -97.214
flat angles C4'-P-C4' energy: -121.046
flat angles P-C4'-P energy: -74.433
tors. eta vs tors. theta energy: -149.220
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: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1754.157535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.157535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.157535 (E_RNA)
where:
Base-Base interactions energy: -1218.367
where: short stacking energy: -499.515
Base-Backbone interact. energy: -0.590
local terms energy: -535.200884
where:
bonds (distance) C4'-P energy: -102.439
bonds (distance) P-C4' energy: -115.909
flat angles C4'-P-C4' energy: -104.886
flat angles P-C4'-P energy: -71.188
tors. eta vs tors. theta energy: -140.780
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: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1743.866838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.866838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.866838 (E_RNA)
where:
Base-Base interactions energy: -1239.458
where: short stacking energy: -470.865
Base-Backbone interact. energy: -0.411
local terms energy: -503.997583
where:
bonds (distance) C4'-P energy: -97.783
bonds (distance) P-C4' energy: -102.454
flat angles C4'-P-C4' energy: -108.448
flat angles P-C4'-P energy: -67.743
tors. eta vs tors. theta energy: -127.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1687.043204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.043204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.043204 (E_RNA)
where:
Base-Base interactions energy: -1159.301
where: short stacking energy: -505.172
Base-Backbone interact. energy: -2.862
local terms energy: -524.880479
where:
bonds (distance) C4'-P energy: -93.015
bonds (distance) P-C4' energy: -101.125
flat angles C4'-P-C4' energy: -119.032
flat angles P-C4'-P energy: -67.177
tors. eta vs tors. theta energy: -144.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1550.055722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.055722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.055722 (E_RNA)
where:
Base-Base interactions energy: -1110.290
where: short stacking energy: -447.970
Base-Backbone interact. energy: -4.187
local terms energy: -435.579381
where:
bonds (distance) C4'-P energy: -67.519
bonds (distance) P-C4' energy: -90.063
flat angles C4'-P-C4' energy: -89.707
flat angles P-C4'-P energy: -69.409
tors. eta vs tors. theta energy: -118.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1447.105552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.105552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.105552 (E_RNA)
where:
Base-Base interactions energy: -1004.458
where: short stacking energy: -394.265
Base-Backbone interact. energy: -3.095
local terms energy: -439.552163
where:
bonds (distance) C4'-P energy: -85.340
bonds (distance) P-C4' energy: -96.667
flat angles C4'-P-C4' energy: -91.995
flat angles P-C4'-P energy: -63.056
tors. eta vs tors. theta energy: -102.495
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: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1327.296833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.296833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.296833 (E_RNA)
where:
Base-Base interactions energy: -892.322
where: short stacking energy: -377.322
Base-Backbone interact. energy: -1.366
local terms energy: -433.609080
where:
bonds (distance) C4'-P energy: -92.058
bonds (distance) P-C4' energy: -86.288
flat angles C4'-P-C4' energy: -98.183
flat angles P-C4'-P energy: -70.309
tors. eta vs tors. theta energy: -86.772
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: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1178.258653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.258653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.258653 (E_RNA)
where:
Base-Base interactions energy: -796.212
where: short stacking energy: -338.526
Base-Backbone interact. energy: -2.210
local terms energy: -379.836723
where:
bonds (distance) C4'-P energy: -66.687
bonds (distance) P-C4' energy: -85.284
flat angles C4'-P-C4' energy: -101.705
flat angles P-C4'-P energy: -58.469
tors. eta vs tors. theta energy: -67.692
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: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -885.522649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.522649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.522649 (E_RNA)
where:
Base-Base interactions energy: -563.903
where: short stacking energy: -271.003
Base-Backbone interact. energy: -0.396
local terms energy: -321.223829
where:
bonds (distance) C4'-P energy: -75.862
bonds (distance) P-C4' energy: -81.100
flat angles C4'-P-C4' energy: -67.552
flat angles P-C4'-P energy: -49.542
tors. eta vs tors. theta energy: -47.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -628.222843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.222843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.222843 (E_RNA)
where:
Base-Base interactions energy: -329.087
where: short stacking energy: -177.074
Base-Backbone interact. energy: 1.118
local terms energy: -300.253497
where:
bonds (distance) C4'-P energy: -74.362
bonds (distance) P-C4' energy: -94.268
flat angles C4'-P-C4' energy: -80.641
flat angles P-C4'-P energy: -42.744
tors. eta vs tors. theta energy: -8.237
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: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1833.368724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.368724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.368724 (E_RNA)
where:
Base-Base interactions energy: -1302.995
where: short stacking energy: -529.282
Base-Backbone interact. energy: -4.000
local terms energy: -526.373228
where:
bonds (distance) C4'-P energy: -104.204
bonds (distance) P-C4' energy: -100.018
flat angles C4'-P-C4' energy: -109.182
flat angles P-C4'-P energy: -73.646
tors. eta vs tors. theta energy: -139.323
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: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1763.145755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.145755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.145755 (E_RNA)
where:
Base-Base interactions energy: -1225.703
where: short stacking energy: -496.551
Base-Backbone interact. energy: -1.718
local terms energy: -535.725212
where:
bonds (distance) C4'-P energy: -99.654
bonds (distance) P-C4' energy: -119.992
flat angles C4'-P-C4' energy: -107.334
flat angles P-C4'-P energy: -70.630
tors. eta vs tors. theta energy: -138.115
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: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1738.100264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.100264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.100264 (E_RNA)
where:
Base-Base interactions energy: -1240.637
where: short stacking energy: -484.662
Base-Backbone interact. energy: -2.049
local terms energy: -495.413951
where:
bonds (distance) C4'-P energy: -97.673
bonds (distance) P-C4' energy: -95.998
flat angles C4'-P-C4' energy: -98.824
flat angles P-C4'-P energy: -68.790
tors. eta vs tors. theta energy: -134.129
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: 289
Temperature: 1.050000
Total energy: -1598.155297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.155297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.155297 (E_RNA)
where:
Base-Base interactions energy: -1127.910
where: short stacking energy: -458.515
Base-Backbone interact. energy: 0.432
local terms energy: -470.677388
where:
bonds (distance) C4'-P energy: -92.661
bonds (distance) P-C4' energy: -104.671
flat angles C4'-P-C4' energy: -100.032
flat angles P-C4'-P energy: -54.073
tors. eta vs tors. theta energy: -119.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1629.996504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.996504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.996504 (E_RNA)
where:
Base-Base interactions energy: -1113.345
where: short stacking energy: -483.900
Base-Backbone interact. energy: -2.518
local terms energy: -514.133365
where:
bonds (distance) C4'-P energy: -86.200
bonds (distance) P-C4' energy: -106.424
flat angles C4'-P-C4' energy: -102.571
flat angles P-C4'-P energy: -77.106
tors. eta vs tors. theta energy: -141.832
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: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1342.715243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.715243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.715243 (E_RNA)
where:
Base-Base interactions energy: -909.441
where: short stacking energy: -413.627
Base-Backbone interact. energy: -1.302
local terms energy: -431.972207
where:
bonds (distance) C4'-P energy: -76.164
bonds (distance) P-C4' energy: -82.073
flat angles C4'-P-C4' energy: -108.795
flat angles P-C4'-P energy: -70.585
tors. eta vs tors. theta energy: -94.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1482.663303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.663303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.663303 (E_RNA)
where:
Base-Base interactions energy: -1052.253
where: short stacking energy: -419.296
Base-Backbone interact. energy: 0.138
local terms energy: -430.547650
where:
bonds (distance) C4'-P energy: -73.772
bonds (distance) P-C4' energy: -78.570
flat angles C4'-P-C4' energy: -100.915
flat angles P-C4'-P energy: -59.358
tors. eta vs tors. theta energy: -117.932
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: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1210.495107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.495107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.495107 (E_RNA)
where:
Base-Base interactions energy: -815.302
where: short stacking energy: -334.018
Base-Backbone interact. energy: -2.436
local terms energy: -392.757333
where:
bonds (distance) C4'-P energy: -74.301
bonds (distance) P-C4' energy: -95.039
flat angles C4'-P-C4' energy: -93.854
flat angles P-C4'-P energy: -59.344
tors. eta vs tors. theta energy: -70.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -887.532495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.532495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.532495 (E_RNA)
where:
Base-Base interactions energy: -539.428
where: short stacking energy: -257.632
Base-Backbone interact. energy: -1.930
local terms energy: -346.174995
where:
bonds (distance) C4'-P energy: -84.411
bonds (distance) P-C4' energy: -101.462
flat angles C4'-P-C4' energy: -81.966
flat angles P-C4'-P energy: -50.559
tors. eta vs tors. theta energy: -27.778
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: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -595.121290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.121290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.121290 (E_RNA)
where:
Base-Base interactions energy: -336.442
where: short stacking energy: -174.548
Base-Backbone interact. energy: -0.987
local terms energy: -257.693034
where:
bonds (distance) C4'-P energy: -78.502
bonds (distance) P-C4' energy: -86.840
flat angles C4'-P-C4' energy: -56.754
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: 3.223
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: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1808.953442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.953442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.953442 (E_RNA)
where:
Base-Base interactions energy: -1268.695
where: short stacking energy: -532.755
Base-Backbone interact. energy: -4.575
local terms energy: -535.683551
where:
bonds (distance) C4'-P energy: -97.870
bonds (distance) P-C4' energy: -108.307
flat angles C4'-P-C4' energy: -116.935
flat angles P-C4'-P energy: -70.600
tors. eta vs tors. theta energy: -141.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1777.600231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.600231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.600231 (E_RNA)
where:
Base-Base interactions energy: -1247.001
where: short stacking energy: -531.032
Base-Backbone interact. energy: -2.679
local terms energy: -527.919450
where:
bonds (distance) C4'-P energy: -95.890
bonds (distance) P-C4' energy: -101.201
flat angles C4'-P-C4' energy: -113.408
flat angles P-C4'-P energy: -74.994
tors. eta vs tors. theta energy: -142.427
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: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1704.135593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.135593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.135593 (E_RNA)
where:
Base-Base interactions energy: -1203.650
where: short stacking energy: -475.188
Base-Backbone interact. energy: -2.752
local terms energy: -497.733621
where:
bonds (distance) C4'-P energy: -82.941
bonds (distance) P-C4' energy: -93.878
flat angles C4'-P-C4' energy: -118.014
flat angles P-C4'-P energy: -75.610
tors. eta vs tors. theta energy: -127.290
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: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1627.835852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.835852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.835852 (E_RNA)
where:
Base-Base interactions energy: -1167.656
where: short stacking energy: -465.387
Base-Backbone interact. energy: -2.123
local terms energy: -458.057515
where:
bonds (distance) C4'-P energy: -81.608
bonds (distance) P-C4' energy: -92.890
flat angles C4'-P-C4' energy: -104.114
flat angles P-C4'-P energy: -54.520
tors. eta vs tors. theta energy: -124.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1590.115954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.115954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.115954 (E_RNA)
where:
Base-Base interactions energy: -1109.381
where: short stacking energy: -464.899
Base-Backbone interact. energy: -2.528
local terms energy: -478.207741
where:
bonds (distance) C4'-P energy: -88.734
bonds (distance) P-C4' energy: -93.650
flat angles C4'-P-C4' energy: -102.329
flat angles P-C4'-P energy: -68.106
tors. eta vs tors. theta energy: -125.389
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: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1393.919793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.919793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.919793 (E_RNA)
where:
Base-Base interactions energy: -947.257
where: short stacking energy: -390.049
Base-Backbone interact. energy: -2.962
local terms energy: -443.700857
where:
bonds (distance) C4'-P energy: -106.939
bonds (distance) P-C4' energy: -93.165
flat angles C4'-P-C4' energy: -83.743
flat angles P-C4'-P energy: -61.727
tors. eta vs tors. theta energy: -98.127
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: 290
Temperature: 1.200000
Total energy: -1431.112962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.112962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.112962 (E_RNA)
where:
Base-Base interactions energy: -1011.497
where: short stacking energy: -426.428
Base-Backbone interact. energy: -4.265
local terms energy: -415.351437
where:
bonds (distance) C4'-P energy: -91.412
bonds (distance) P-C4' energy: -67.182
flat angles C4'-P-C4' energy: -98.024
flat angles P-C4'-P energy: -59.715
tors. eta vs tors. theta energy: -99.019
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: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1298.698476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.698476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.698476 (E_RNA)
where:
Base-Base interactions energy: -903.627
where: short stacking energy: -417.637
Base-Backbone interact. energy: -0.712
local terms energy: -394.359439
where:
bonds (distance) C4'-P energy: -45.545
bonds (distance) P-C4' energy: -84.482
flat angles C4'-P-C4' energy: -107.396
flat angles P-C4'-P energy: -45.457
tors. eta vs tors. theta energy: -111.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -848.941631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.941631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.941631 (E_RNA)
where:
Base-Base interactions energy: -499.438
where: short stacking energy: -220.205
Base-Backbone interact. energy: -0.239
local terms energy: -349.264954
where:
bonds (distance) C4'-P energy: -94.189
bonds (distance) P-C4' energy: -84.022
flat angles C4'-P-C4' energy: -88.835
flat angles P-C4'-P energy: -53.331
tors. eta vs tors. theta energy: -28.888
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: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -636.041119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.041119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.041119 (E_RNA)
where:
Base-Base interactions energy: -344.074
where: short stacking energy: -163.793
Base-Backbone interact. energy: 5.386
local terms energy: -297.352384
where:
bonds (distance) C4'-P energy: -75.754
bonds (distance) P-C4' energy: -83.309
flat angles C4'-P-C4' energy: -81.426
flat angles P-C4'-P energy: -52.635
tors. eta vs tors. theta energy: -4.229
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: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1821.676367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.676367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.676367 (E_RNA)
where:
Base-Base interactions energy: -1273.083
where: short stacking energy: -526.608
Base-Backbone interact. energy: -1.739
local terms energy: -546.854035
where:
bonds (distance) C4'-P energy: -99.329
bonds (distance) P-C4' energy: -108.109
flat angles C4'-P-C4' energy: -114.724
flat angles P-C4'-P energy: -78.650
tors. eta vs tors. theta energy: -146.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1755.476390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.476390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.476390 (E_RNA)
where:
Base-Base interactions energy: -1203.368
where: short stacking energy: -510.168
Base-Backbone interact. energy: -3.719
local terms energy: -548.390169
where:
bonds (distance) C4'-P energy: -101.329
bonds (distance) P-C4' energy: -115.821
flat angles C4'-P-C4' energy: -110.958
flat angles P-C4'-P energy: -77.615
tors. eta vs tors. theta energy: -142.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1687.472391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.472391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.472391 (E_RNA)
where:
Base-Base interactions energy: -1179.425
where: short stacking energy: -453.388
Base-Backbone interact. energy: -1.665
local terms energy: -506.382340
where:
bonds (distance) C4'-P energy: -98.477
bonds (distance) P-C4' energy: -84.418
flat angles C4'-P-C4' energy: -117.417
flat angles P-C4'-P energy: -73.648
tors. eta vs tors. theta energy: -132.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1633.266435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.266435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.266435 (E_RNA)
where:
Base-Base interactions energy: -1128.591
where: short stacking energy: -449.763
Base-Backbone interact. energy: -2.161
local terms energy: -502.514137
where:
bonds (distance) C4'-P energy: -91.262
bonds (distance) P-C4' energy: -106.876
flat angles C4'-P-C4' energy: -108.889
flat angles P-C4'-P energy: -73.793
tors. eta vs tors. theta energy: -121.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1605.777572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.777572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.777572 (E_RNA)
where:
Base-Base interactions energy: -1130.192
where: short stacking energy: -481.507
Base-Backbone interact. energy: -1.086
local terms energy: -474.499745
where:
bonds (distance) C4'-P energy: -85.193
bonds (distance) P-C4' energy: -103.200
flat angles C4'-P-C4' energy: -100.577
flat angles P-C4'-P energy: -67.488
tors. eta vs tors. theta energy: -118.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1471.085159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.085159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.085159 (E_RNA)
where:
Base-Base interactions energy: -1030.121
where: short stacking energy: -423.473
Base-Backbone interact. energy: 3.284
local terms energy: -444.248567
where:
bonds (distance) C4'-P energy: -83.969
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -101.719
flat angles P-C4'-P energy: -60.325
tors. eta vs tors. theta energy: -107.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1321.383231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.383231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.383231 (E_RNA)
where:
Base-Base interactions energy: -891.377
where: short stacking energy: -373.715
Base-Backbone interact. energy: -0.084
local terms energy: -429.921991
where:
bonds (distance) C4'-P energy: -93.746
bonds (distance) P-C4' energy: -94.320
flat angles C4'-P-C4' energy: -96.144
flat angles P-C4'-P energy: -57.551
tors. eta vs tors. theta energy: -88.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1193.197433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.197433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.197433 (E_RNA)
where:
Base-Base interactions energy: -822.222
where: short stacking energy: -349.287
Base-Backbone interact. energy: 0.171
local terms energy: -371.146073
where:
bonds (distance) C4'-P energy: -66.474
bonds (distance) P-C4' energy: -77.646
flat angles C4'-P-C4' energy: -100.296
flat angles P-C4'-P energy: -45.521
tors. eta vs tors. theta energy: -81.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -911.924140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.924140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.924140 (E_RNA)
where:
Base-Base interactions energy: -556.575
where: short stacking energy: -270.902
Base-Backbone interact. energy: 0.877
local terms energy: -356.225471
where:
bonds (distance) C4'-P energy: -76.621
bonds (distance) P-C4' energy: -88.283
flat angles C4'-P-C4' energy: -91.448
flat angles P-C4'-P energy: -52.561
tors. eta vs tors. theta energy: -47.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -722.462529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.462529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.462529 (E_RNA)
where:
Base-Base interactions energy: -421.195
where: short stacking energy: -224.898
Base-Backbone interact. energy: 0.487
local terms energy: -301.754204
where:
bonds (distance) C4'-P energy: -84.965
bonds (distance) P-C4' energy: -69.555
flat angles C4'-P-C4' energy: -75.924
flat angles P-C4'-P energy: -43.781
tors. eta vs tors. theta energy: -27.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1844.114525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.114525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.114525 (E_RNA)
where:
Base-Base interactions energy: -1296.329
where: short stacking energy: -542.420
Base-Backbone interact. energy: -5.433
local terms energy: -542.352403
where:
bonds (distance) C4'-P energy: -107.633
bonds (distance) P-C4' energy: -89.710
flat angles C4'-P-C4' energy: -118.455
flat angles P-C4'-P energy: -71.706
tors. eta vs tors. theta energy: -154.848
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: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1763.181574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.181574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.181574 (E_RNA)
where:
Base-Base interactions energy: -1219.911
where: short stacking energy: -523.309
Base-Backbone interact. energy: -3.401
local terms energy: -539.870237
where:
bonds (distance) C4'-P energy: -99.566
bonds (distance) P-C4' energy: -114.566
flat angles C4'-P-C4' energy: -116.270
flat angles P-C4'-P energy: -72.028
tors. eta vs tors. theta energy: -137.441
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: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1715.179963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.179963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.179963 (E_RNA)
where:
Base-Base interactions energy: -1210.384
where: short stacking energy: -482.841
Base-Backbone interact. energy: 1.812
local terms energy: -506.607867
where:
bonds (distance) C4'-P energy: -95.761
bonds (distance) P-C4' energy: -102.462
flat angles C4'-P-C4' energy: -102.065
flat angles P-C4'-P energy: -74.738
tors. eta vs tors. theta energy: -131.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1627.007949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.007949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.007949 (E_RNA)
where:
Base-Base interactions energy: -1146.701
where: short stacking energy: -479.644
Base-Backbone interact. energy: 3.454
local terms energy: -483.760938
where:
bonds (distance) C4'-P energy: -91.842
bonds (distance) P-C4' energy: -95.070
flat angles C4'-P-C4' energy: -106.739
flat angles P-C4'-P energy: -64.041
tors. eta vs tors. theta energy: -126.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1652.841335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.841335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.841335 (E_RNA)
where:
Base-Base interactions energy: -1151.225
where: short stacking energy: -512.270
Base-Backbone interact. energy: -0.116
local terms energy: -501.499918
where:
bonds (distance) C4'-P energy: -81.753
bonds (distance) P-C4' energy: -94.226
flat angles C4'-P-C4' energy: -108.096
flat angles P-C4'-P energy: -74.532
tors. eta vs tors. theta energy: -142.892
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: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1418.778531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.778531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.778531 (E_RNA)
where:
Base-Base interactions energy: -983.637
where: short stacking energy: -401.785
Base-Backbone interact. energy: 0.267
local terms energy: -435.408474
where:
bonds (distance) C4'-P energy: -92.384
bonds (distance) P-C4' energy: -87.750
flat angles C4'-P-C4' energy: -94.874
flat angles P-C4'-P energy: -68.001
tors. eta vs tors. theta energy: -92.400
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: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1270.083077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.083077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.083077 (E_RNA)
where:
Base-Base interactions energy: -886.230
where: short stacking energy: -339.874
Base-Backbone interact. energy: 0.477
local terms energy: -384.330322
where:
bonds (distance) C4'-P energy: -70.809
bonds (distance) P-C4' energy: -83.278
flat angles C4'-P-C4' energy: -90.327
flat angles P-C4'-P energy: -64.778
tors. eta vs tors. theta energy: -75.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1245.221252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.221252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.221252 (E_RNA)
where:
Base-Base interactions energy: -830.628
where: short stacking energy: -357.686
Base-Backbone interact. energy: -2.950
local terms energy: -411.642989
where:
bonds (distance) C4'-P energy: -82.548
bonds (distance) P-C4' energy: -86.444
flat angles C4'-P-C4' energy: -89.220
flat angles P-C4'-P energy: -65.247
tors. eta vs tors. theta energy: -88.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -893.587316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.587316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.587316 (E_RNA)
where:
Base-Base interactions energy: -550.846
where: short stacking energy: -263.160
Base-Backbone interact. energy: -0.952
local terms energy: -341.789655
where:
bonds (distance) C4'-P energy: -86.956
bonds (distance) P-C4' energy: -91.396
flat angles C4'-P-C4' energy: -80.690
flat angles P-C4'-P energy: -42.415
tors. eta vs tors. theta energy: -40.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -647.787186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.787186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.787186 (E_RNA)
where:
Base-Base interactions energy: -376.271
where: short stacking energy: -200.405
Base-Backbone interact. energy: -0.679
local terms energy: -270.836986
where:
bonds (distance) C4'-P energy: -90.892
bonds (distance) P-C4' energy: -84.319
flat angles C4'-P-C4' energy: -51.851
flat angles P-C4'-P energy: -28.602
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1834.451863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.451863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.451863 (E_RNA)
where:
Base-Base interactions energy: -1284.874
where: short stacking energy: -539.436
Base-Backbone interact. energy: -3.031
local terms energy: -546.546792
where:
bonds (distance) C4'-P energy: -91.706
bonds (distance) P-C4' energy: -105.771
flat angles C4'-P-C4' energy: -116.980
flat angles P-C4'-P energy: -79.867
tors. eta vs tors. theta energy: -152.222
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: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1796.291658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.291658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.291658 (E_RNA)
where:
Base-Base interactions energy: -1261.065
where: short stacking energy: -513.617
Base-Backbone interact. energy: 0.572
local terms energy: -535.798909
where:
bonds (distance) C4'-P energy: -101.411
bonds (distance) P-C4' energy: -97.941
flat angles C4'-P-C4' energy: -111.253
flat angles P-C4'-P energy: -86.958
tors. eta vs tors. theta energy: -138.236
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: 293
Temperature: 1.000000
Total energy: -1706.703824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.703824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.703824 (E_RNA)
where:
Base-Base interactions energy: -1190.048
where: short stacking energy: -474.019
Base-Backbone interact. energy: -1.042
local terms energy: -515.613090
where:
bonds (distance) C4'-P energy: -95.267
bonds (distance) P-C4' energy: -107.024
flat angles C4'-P-C4' energy: -113.291
flat angles P-C4'-P energy: -71.581
tors. eta vs tors. theta energy: -128.450
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: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1645.845749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.845749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.845749 (E_RNA)
where:
Base-Base interactions energy: -1169.998
where: short stacking energy: -464.815
Base-Backbone interact. energy: -2.768
local terms energy: -473.080043
where:
bonds (distance) C4'-P energy: -100.984
bonds (distance) P-C4' energy: -92.409
flat angles C4'-P-C4' energy: -96.446
flat angles P-C4'-P energy: -62.048
tors. eta vs tors. theta energy: -121.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1584.276050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.276050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.276050 (E_RNA)
where:
Base-Base interactions energy: -1101.024
where: short stacking energy: -470.381
Base-Backbone interact. energy: 5.182
local terms energy: -488.434089
where:
bonds (distance) C4'-P energy: -93.254
bonds (distance) P-C4' energy: -92.054
flat angles C4'-P-C4' energy: -114.206
flat angles P-C4'-P energy: -60.962
tors. eta vs tors. theta energy: -127.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1439.154752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.154752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.154752 (E_RNA)
where:
Base-Base interactions energy: -1012.226
where: short stacking energy: -418.195
Base-Backbone interact. energy: 0.371
local terms energy: -427.298967
where:
bonds (distance) C4'-P energy: -90.269
bonds (distance) P-C4' energy: -74.669
flat angles C4'-P-C4' energy: -92.876
flat angles P-C4'-P energy: -59.865
tors. eta vs tors. theta energy: -109.619
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: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1200.913818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.913818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.913818 (E_RNA)
where:
Base-Base interactions energy: -801.181
where: short stacking energy: -337.381
Base-Backbone interact. energy: -0.317
local terms energy: -399.416279
where:
bonds (distance) C4'-P energy: -98.785
bonds (distance) P-C4' energy: -86.391
flat angles C4'-P-C4' energy: -88.601
flat angles P-C4'-P energy: -54.455
tors. eta vs tors. theta energy: -71.185
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: 293
Temperature: 1.250000
Total energy: -1239.834210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.834210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.834210 (E_RNA)
where:
Base-Base interactions energy: -872.569
where: short stacking energy: -359.145
Base-Backbone interact. energy: -2.555
local terms energy: -364.710445
where:
bonds (distance) C4'-P energy: -81.125
bonds (distance) P-C4' energy: -78.893
flat angles C4'-P-C4' energy: -70.327
flat angles P-C4'-P energy: -49.301
tors. eta vs tors. theta energy: -85.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -881.336824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.336824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.336824 (E_RNA)
where:
Base-Base interactions energy: -552.828
where: short stacking energy: -269.093
Base-Backbone interact. energy: -1.953
local terms energy: -326.555346
where:
bonds (distance) C4'-P energy: -80.041
bonds (distance) P-C4' energy: -73.004
flat angles C4'-P-C4' energy: -88.963
flat angles P-C4'-P energy: -50.212
tors. eta vs tors. theta energy: -34.335
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: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -625.776945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.776945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.776945 (E_RNA)
where:
Base-Base interactions energy: -350.453
where: short stacking energy: -174.327
Base-Backbone interact. energy: 4.143
local terms energy: -279.466716
where:
bonds (distance) C4'-P energy: -93.795
bonds (distance) P-C4' energy: -67.014
flat angles C4'-P-C4' energy: -79.717
flat angles P-C4'-P energy: -41.837
tors. eta vs tors. theta energy: 2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1864.772978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.772978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.772978 (E_RNA)
where:
Base-Base interactions energy: -1296.406
where: short stacking energy: -537.914
Base-Backbone interact. energy: -0.832
local terms energy: -567.535842
where:
bonds (distance) C4'-P energy: -105.333
bonds (distance) P-C4' energy: -102.832
flat angles C4'-P-C4' energy: -124.378
flat angles P-C4'-P energy: -88.068
tors. eta vs tors. theta energy: -146.924
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: 2, replica: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1792.628456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.628456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.628456 (E_RNA)
where:
Base-Base interactions energy: -1272.265
where: short stacking energy: -517.360
Base-Backbone interact. energy: -1.059
local terms energy: -519.304267
where:
bonds (distance) C4'-P energy: -91.781
bonds (distance) P-C4' energy: -98.702
flat angles C4'-P-C4' energy: -112.736
flat angles P-C4'-P energy: -76.554
tors. eta vs tors. theta energy: -139.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1700.600985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.600985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.600985 (E_RNA)
where:
Base-Base interactions energy: -1215.655
where: short stacking energy: -495.691
Base-Backbone interact. energy: -2.658
local terms energy: -482.288329
where:
bonds (distance) C4'-P energy: -75.951
bonds (distance) P-C4' energy: -107.949
flat angles C4'-P-C4' energy: -106.988
flat angles P-C4'-P energy: -66.911
tors. eta vs tors. theta energy: -124.489
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: 294
Temperature: 1.050000
Total energy: -1626.379942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.379942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.379942 (E_RNA)
where:
Base-Base interactions energy: -1135.893
where: short stacking energy: -471.349
Base-Backbone interact. energy: -1.957
local terms energy: -488.529947
where:
bonds (distance) C4'-P energy: -90.037
bonds (distance) P-C4' energy: -87.761
flat angles C4'-P-C4' energy: -115.393
flat angles P-C4'-P energy: -75.387
tors. eta vs tors. theta energy: -119.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1588.252381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.252381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.252381 (E_RNA)
where:
Base-Base interactions energy: -1086.234
where: short stacking energy: -439.080
Base-Backbone interact. energy: -4.041
local terms energy: -497.977699
where:
bonds (distance) C4'-P energy: -98.720
bonds (distance) P-C4' energy: -103.912
flat angles C4'-P-C4' energy: -109.441
flat angles P-C4'-P energy: -65.095
tors. eta vs tors. theta energy: -120.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1430.416639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.416639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.416639 (E_RNA)
where:
Base-Base interactions energy: -990.164
where: short stacking energy: -416.405
Base-Backbone interact. energy: -2.575
local terms energy: -437.677689
where:
bonds (distance) C4'-P energy: -75.121
bonds (distance) P-C4' energy: -81.915
flat angles C4'-P-C4' energy: -95.073
flat angles P-C4'-P energy: -73.109
tors. eta vs tors. theta energy: -112.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1275.569468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.569468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.569468 (E_RNA)
where:
Base-Base interactions energy: -852.083
where: short stacking energy: -360.814
Base-Backbone interact. energy: -2.431
local terms energy: -421.055065
where:
bonds (distance) C4'-P energy: -92.626
bonds (distance) P-C4' energy: -94.409
flat angles C4'-P-C4' energy: -91.175
flat angles P-C4'-P energy: -68.780
tors. eta vs tors. theta energy: -74.065
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: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1203.750872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.750872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.750872 (E_RNA)
where:
Base-Base interactions energy: -782.191
where: short stacking energy: -361.403
Base-Backbone interact. energy: -2.881
local terms energy: -418.679592
where:
bonds (distance) C4'-P energy: -91.475
bonds (distance) P-C4' energy: -92.253
flat angles C4'-P-C4' energy: -102.274
flat angles P-C4'-P energy: -49.051
tors. eta vs tors. theta energy: -83.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -879.229356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.229356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.229356 (E_RNA)
where:
Base-Base interactions energy: -537.132
where: short stacking energy: -225.615
Base-Backbone interact. energy: 0.254
local terms energy: -342.351514
where:
bonds (distance) C4'-P energy: -95.234
bonds (distance) P-C4' energy: -91.093
flat angles C4'-P-C4' energy: -75.416
flat angles P-C4'-P energy: -39.046
tors. eta vs tors. theta energy: -41.564
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: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -617.591684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.591684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.591684 (E_RNA)
where:
Base-Base interactions energy: -329.156
where: short stacking energy: -152.550
Base-Backbone interact. energy: 0.812
local terms energy: -289.247803
where:
bonds (distance) C4'-P energy: -77.596
bonds (distance) P-C4' energy: -92.713
flat angles C4'-P-C4' energy: -89.867
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: 9.544
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: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1856.501405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.501405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.501405 (E_RNA)
where:
Base-Base interactions energy: -1284.856
where: short stacking energy: -557.014
Base-Backbone interact. energy: -2.362
local terms energy: -569.283613
where:
bonds (distance) C4'-P energy: -103.783
bonds (distance) P-C4' energy: -109.118
flat angles C4'-P-C4' energy: -121.678
flat angles P-C4'-P energy: -83.880
tors. eta vs tors. theta energy: -150.825
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: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1753.890738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.890738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.890738 (E_RNA)
where:
Base-Base interactions energy: -1237.119
where: short stacking energy: -500.464
Base-Backbone interact. energy: -3.255
local terms energy: -513.516729
where:
bonds (distance) C4'-P energy: -96.688
bonds (distance) P-C4' energy: -101.058
flat angles C4'-P-C4' energy: -107.611
flat angles P-C4'-P energy: -66.088
tors. eta vs tors. theta energy: -142.071
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: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1738.990406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.990406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.990406 (E_RNA)
where:
Base-Base interactions energy: -1216.007
where: short stacking energy: -478.372
Base-Backbone interact. energy: 2.953
local terms energy: -525.936035
where:
bonds (distance) C4'-P energy: -96.580
bonds (distance) P-C4' energy: -92.836
flat angles C4'-P-C4' energy: -117.714
flat angles P-C4'-P energy: -83.272
tors. eta vs tors. theta energy: -135.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1634.522113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.522113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.522113 (E_RNA)
where:
Base-Base interactions energy: -1123.999
where: short stacking energy: -485.112
Base-Backbone interact. energy: -2.609
local terms energy: -507.913572
where:
bonds (distance) C4'-P energy: -91.979
bonds (distance) P-C4' energy: -95.469
flat angles C4'-P-C4' energy: -120.013
flat angles P-C4'-P energy: -60.731
tors. eta vs tors. theta energy: -139.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1562.465312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.465312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.465312 (E_RNA)
where:
Base-Base interactions energy: -1111.382
where: short stacking energy: -440.017
Base-Backbone interact. energy: -2.175
local terms energy: -448.908365
where:
bonds (distance) C4'-P energy: -79.522
bonds (distance) P-C4' energy: -81.795
flat angles C4'-P-C4' energy: -98.221
flat angles P-C4'-P energy: -71.628
tors. eta vs tors. theta energy: -117.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1427.723875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.723875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.723875 (E_RNA)
where:
Base-Base interactions energy: -981.198
where: short stacking energy: -419.663
Base-Backbone interact. energy: -0.623
local terms energy: -445.903031
where:
bonds (distance) C4'-P energy: -89.140
bonds (distance) P-C4' energy: -89.752
flat angles C4'-P-C4' energy: -102.073
flat angles P-C4'-P energy: -59.589
tors. eta vs tors. theta energy: -105.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1282.047550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.047550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.047550 (E_RNA)
where:
Base-Base interactions energy: -896.399
where: short stacking energy: -368.303
Base-Backbone interact. energy: -0.256
local terms energy: -385.392206
where:
bonds (distance) C4'-P energy: -70.944
bonds (distance) P-C4' energy: -79.938
flat angles C4'-P-C4' energy: -92.905
flat angles P-C4'-P energy: -63.043
tors. eta vs tors. theta energy: -78.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1206.312793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.312793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.312793 (E_RNA)
where:
Base-Base interactions energy: -812.745
where: short stacking energy: -353.686
Base-Backbone interact. energy: 5.390
local terms energy: -398.958287
where:
bonds (distance) C4'-P energy: -86.468
bonds (distance) P-C4' energy: -102.377
flat angles C4'-P-C4' energy: -83.636
flat angles P-C4'-P energy: -59.483
tors. eta vs tors. theta energy: -66.994
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: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -888.351791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.351791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.351791 (E_RNA)
where:
Base-Base interactions energy: -546.228
where: short stacking energy: -253.444
Base-Backbone interact. energy: -0.889
local terms energy: -341.234477
where:
bonds (distance) C4'-P energy: -87.052
bonds (distance) P-C4' energy: -87.314
flat angles C4'-P-C4' energy: -83.984
flat angles P-C4'-P energy: -53.104
tors. eta vs tors. theta energy: -29.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -621.339777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.339777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.339777 (E_RNA)
where:
Base-Base interactions energy: -329.665
where: short stacking energy: -178.531
Base-Backbone interact. energy: 2.889
local terms energy: -294.563886
where:
bonds (distance) C4'-P energy: -86.287
bonds (distance) P-C4' energy: -81.534
flat angles C4'-P-C4' energy: -78.425
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1865.937603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.937603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.937603 (E_RNA)
where:
Base-Base interactions energy: -1330.072
where: short stacking energy: -551.989
Base-Backbone interact. energy: -4.167
local terms energy: -531.698088
where:
bonds (distance) C4'-P energy: -94.081
bonds (distance) P-C4' energy: -103.175
flat angles C4'-P-C4' energy: -114.557
flat angles P-C4'-P energy: -68.516
tors. eta vs tors. theta energy: -151.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1806.584286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.584286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.584286 (E_RNA)
where:
Base-Base interactions energy: -1277.087
where: short stacking energy: -516.321
Base-Backbone interact. energy: -1.982
local terms energy: -527.515496
where:
bonds (distance) C4'-P energy: -94.768
bonds (distance) P-C4' energy: -96.871
flat angles C4'-P-C4' energy: -107.543
flat angles P-C4'-P energy: -82.700
tors. eta vs tors. theta energy: -145.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1727.236723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.236723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.236723 (E_RNA)
where:
Base-Base interactions energy: -1242.165
where: short stacking energy: -489.700
Base-Backbone interact. energy: -3.891
local terms energy: -481.180599
where:
bonds (distance) C4'-P energy: -84.612
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -105.701
flat angles P-C4'-P energy: -64.681
tors. eta vs tors. theta energy: -136.807
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: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1644.626537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.626537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.626537 (E_RNA)
where:
Base-Base interactions energy: -1153.087
where: short stacking energy: -491.231
Base-Backbone interact. energy: 2.000
local terms energy: -493.539795
where:
bonds (distance) C4'-P energy: -90.582
bonds (distance) P-C4' energy: -97.344
flat angles C4'-P-C4' energy: -115.687
flat angles P-C4'-P energy: -55.681
tors. eta vs tors. theta energy: -134.246
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: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1545.013424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.013424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.013424 (E_RNA)
where:
Base-Base interactions energy: -1092.097
where: short stacking energy: -439.857
Base-Backbone interact. energy: -2.230
local terms energy: -450.686503
where:
bonds (distance) C4'-P energy: -96.666
bonds (distance) P-C4' energy: -73.832
flat angles C4'-P-C4' energy: -95.165
flat angles P-C4'-P energy: -65.958
tors. eta vs tors. theta energy: -119.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1388.482860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.482860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.482860 (E_RNA)
where:
Base-Base interactions energy: -935.512
where: short stacking energy: -368.079
Base-Backbone interact. energy: -0.555
local terms energy: -452.415381
where:
bonds (distance) C4'-P energy: -90.120
bonds (distance) P-C4' energy: -108.226
flat angles C4'-P-C4' energy: -106.889
flat angles P-C4'-P energy: -57.285
tors. eta vs tors. theta energy: -89.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1355.267716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.267716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.267716 (E_RNA)
where:
Base-Base interactions energy: -923.438
where: short stacking energy: -399.655
Base-Backbone interact. energy: -0.353
local terms energy: -431.476383
where:
bonds (distance) C4'-P energy: -77.683
bonds (distance) P-C4' energy: -91.828
flat angles C4'-P-C4' energy: -98.916
flat angles P-C4'-P energy: -69.234
tors. eta vs tors. theta energy: -93.815
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: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1189.784760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.784760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.784760 (E_RNA)
where:
Base-Base interactions energy: -809.847
where: short stacking energy: -345.433
Base-Backbone interact. energy: -1.590
local terms energy: -378.347838
where:
bonds (distance) C4'-P energy: -86.840
bonds (distance) P-C4' energy: -76.547
flat angles C4'-P-C4' energy: -80.360
flat angles P-C4'-P energy: -58.491
tors. eta vs tors. theta energy: -76.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -918.765422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.765422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.765422 (E_RNA)
where:
Base-Base interactions energy: -570.707
where: short stacking energy: -249.947
Base-Backbone interact. energy: 1.248
local terms energy: -349.307056
where:
bonds (distance) C4'-P energy: -79.033
bonds (distance) P-C4' energy: -92.423
flat angles C4'-P-C4' energy: -79.058
flat angles P-C4'-P energy: -58.762
tors. eta vs tors. theta energy: -40.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -627.063940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.063940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.063940 (E_RNA)
where:
Base-Base interactions energy: -342.062
where: short stacking energy: -188.880
Base-Backbone interact. energy: 1.094
local terms energy: -286.096386
where:
bonds (distance) C4'-P energy: -72.448
bonds (distance) P-C4' energy: -97.830
flat angles C4'-P-C4' energy: -69.330
flat angles P-C4'-P energy: -40.167
tors. eta vs tors. theta energy: -6.321
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: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1853.884175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.884175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.884175 (E_RNA)
where:
Base-Base interactions energy: -1286.653
where: short stacking energy: -531.802
Base-Backbone interact. energy: -2.669
local terms energy: -564.561753
where:
bonds (distance) C4'-P energy: -117.770
bonds (distance) P-C4' energy: -101.528
flat angles C4'-P-C4' energy: -123.085
flat angles P-C4'-P energy: -77.408
tors. eta vs tors. theta energy: -144.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1747.841487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.841487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.841487 (E_RNA)
where:
Base-Base interactions energy: -1206.600
where: short stacking energy: -511.142
Base-Backbone interact. energy: -1.751
local terms energy: -539.490510
where:
bonds (distance) C4'-P energy: -100.092
bonds (distance) P-C4' energy: -104.113
flat angles C4'-P-C4' energy: -112.147
flat angles P-C4'-P energy: -77.559
tors. eta vs tors. theta energy: -145.580
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: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1738.545268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.545268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.545268 (E_RNA)
where:
Base-Base interactions energy: -1226.493
where: short stacking energy: -478.348
Base-Backbone interact. energy: 1.284
local terms energy: -513.335662
where:
bonds (distance) C4'-P energy: -91.021
bonds (distance) P-C4' energy: -107.679
flat angles C4'-P-C4' energy: -107.495
flat angles P-C4'-P energy: -80.084
tors. eta vs tors. theta energy: -127.058
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: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1648.337817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.337817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.337817 (E_RNA)
where:
Base-Base interactions energy: -1142.574
where: short stacking energy: -484.189
Base-Backbone interact. energy: 1.653
local terms energy: -507.416354
where:
bonds (distance) C4'-P energy: -78.719
bonds (distance) P-C4' energy: -99.164
flat angles C4'-P-C4' energy: -113.447
flat angles P-C4'-P energy: -81.411
tors. eta vs tors. theta energy: -134.675
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: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1551.437006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.437006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.437006 (E_RNA)
where:
Base-Base interactions energy: -1085.005
where: short stacking energy: -441.937
Base-Backbone interact. energy: 1.099
local terms energy: -467.531164
where:
bonds (distance) C4'-P energy: -87.601
bonds (distance) P-C4' energy: -88.134
flat angles C4'-P-C4' energy: -105.205
flat angles P-C4'-P energy: -71.276
tors. eta vs tors. theta energy: -115.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1424.559428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.559428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.559428 (E_RNA)
where:
Base-Base interactions energy: -976.827
where: short stacking energy: -413.476
Base-Backbone interact. energy: -3.377
local terms energy: -444.356067
where:
bonds (distance) C4'-P energy: -93.324
bonds (distance) P-C4' energy: -90.411
flat angles C4'-P-C4' energy: -83.917
flat angles P-C4'-P energy: -69.259
tors. eta vs tors. theta energy: -107.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1385.493411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.493411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.493411 (E_RNA)
where:
Base-Base interactions energy: -954.396
where: short stacking energy: -392.627
Base-Backbone interact. energy: -3.406
local terms energy: -427.691042
where:
bonds (distance) C4'-P energy: -77.609
bonds (distance) P-C4' energy: -94.572
flat angles C4'-P-C4' energy: -102.879
flat angles P-C4'-P energy: -66.003
tors. eta vs tors. theta energy: -86.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1201.428860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.428860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.428860 (E_RNA)
where:
Base-Base interactions energy: -811.131
where: short stacking energy: -343.322
Base-Backbone interact. energy: 1.002
local terms energy: -391.299876
where:
bonds (distance) C4'-P energy: -79.298
bonds (distance) P-C4' energy: -78.119
flat angles C4'-P-C4' energy: -92.085
flat angles P-C4'-P energy: -63.563
tors. eta vs tors. theta energy: -78.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -936.271838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.271838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.271838 (E_RNA)
where:
Base-Base interactions energy: -610.020
where: short stacking energy: -272.742
Base-Backbone interact. energy: -2.160
local terms energy: -324.091735
where:
bonds (distance) C4'-P energy: -79.666
bonds (distance) P-C4' energy: -84.440
flat angles C4'-P-C4' energy: -87.324
flat angles P-C4'-P energy: -38.685
tors. eta vs tors. theta energy: -33.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -656.972005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.972005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.972005 (E_RNA)
where:
Base-Base interactions energy: -357.717
where: short stacking energy: -198.597
Base-Backbone interact. energy: -1.271
local terms energy: -297.984373
where:
bonds (distance) C4'-P energy: -87.296
bonds (distance) P-C4' energy: -101.500
flat angles C4'-P-C4' energy: -70.340
flat angles P-C4'-P energy: -24.890
tors. eta vs tors. theta energy: -13.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1848.821017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.821017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.821017 (E_RNA)
where:
Base-Base interactions energy: -1297.390
where: short stacking energy: -538.851
Base-Backbone interact. energy: -3.907
local terms energy: -547.523549
where:
bonds (distance) C4'-P energy: -103.957
bonds (distance) P-C4' energy: -102.262
flat angles C4'-P-C4' energy: -117.364
flat angles P-C4'-P energy: -75.671
tors. eta vs tors. theta energy: -148.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1721.850412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.850412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.850412 (E_RNA)
where:
Base-Base interactions energy: -1194.062
where: short stacking energy: -487.054
Base-Backbone interact. energy: -0.776
local terms energy: -527.011773
where:
bonds (distance) C4'-P energy: -102.189
bonds (distance) P-C4' energy: -106.283
flat angles C4'-P-C4' energy: -115.232
flat angles P-C4'-P energy: -74.883
tors. eta vs tors. theta energy: -128.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1722.121294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.121294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.121294 (E_RNA)
where:
Base-Base interactions energy: -1218.482
where: short stacking energy: -473.355
Base-Backbone interact. energy: -0.730
local terms energy: -502.908807
where:
bonds (distance) C4'-P energy: -96.622
bonds (distance) P-C4' energy: -97.214
flat angles C4'-P-C4' energy: -112.576
flat angles P-C4'-P energy: -78.563
tors. eta vs tors. theta energy: -117.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1633.186090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.186090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.186090 (E_RNA)
where:
Base-Base interactions energy: -1145.544
where: short stacking energy: -461.530
Base-Backbone interact. energy: -3.589
local terms energy: -484.052816
where:
bonds (distance) C4'-P energy: -79.515
bonds (distance) P-C4' energy: -98.367
flat angles C4'-P-C4' energy: -99.412
flat angles P-C4'-P energy: -85.836
tors. eta vs tors. theta energy: -120.923
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: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1519.382755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.382755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.382755 (E_RNA)
where:
Base-Base interactions energy: -1058.939
where: short stacking energy: -420.969
Base-Backbone interact. energy: -1.231
local terms energy: -459.212511
where:
bonds (distance) C4'-P energy: -88.263
bonds (distance) P-C4' energy: -95.854
flat angles C4'-P-C4' energy: -105.041
flat angles P-C4'-P energy: -68.498
tors. eta vs tors. theta energy: -101.556
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: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1346.990102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.990102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.990102 (E_RNA)
where:
Base-Base interactions energy: -912.427
where: short stacking energy: -388.433
Base-Backbone interact. energy: -0.796
local terms energy: -433.766754
where:
bonds (distance) C4'-P energy: -90.076
bonds (distance) P-C4' energy: -89.755
flat angles C4'-P-C4' energy: -87.908
flat angles P-C4'-P energy: -64.055
tors. eta vs tors. theta energy: -101.973
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: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1365.525550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.525550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.525550 (E_RNA)
where:
Base-Base interactions energy: -935.378
where: short stacking energy: -385.430
Base-Backbone interact. energy: 4.763
local terms energy: -434.911169
where:
bonds (distance) C4'-P energy: -85.794
bonds (distance) P-C4' energy: -101.756
flat angles C4'-P-C4' energy: -90.726
flat angles P-C4'-P energy: -66.067
tors. eta vs tors. theta energy: -90.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1175.719035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.719035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.719035 (E_RNA)
where:
Base-Base interactions energy: -792.148
where: short stacking energy: -323.210
Base-Backbone interact. energy: -2.622
local terms energy: -380.949182
where:
bonds (distance) C4'-P energy: -68.666
bonds (distance) P-C4' energy: -93.200
flat angles C4'-P-C4' energy: -103.473
flat angles P-C4'-P energy: -47.268
tors. eta vs tors. theta energy: -68.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -959.999323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.999323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.999323 (E_RNA)
where:
Base-Base interactions energy: -622.933
where: short stacking energy: -292.167
Base-Backbone interact. energy: 2.007
local terms energy: -339.073204
where:
bonds (distance) C4'-P energy: -73.376
bonds (distance) P-C4' energy: -80.329
flat angles C4'-P-C4' energy: -81.606
flat angles P-C4'-P energy: -54.550
tors. eta vs tors. theta energy: -49.212
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: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -652.997561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.997561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.997561 (E_RNA)
where:
Base-Base interactions energy: -359.024
where: short stacking energy: -183.477
Base-Backbone interact. energy: -0.271
local terms energy: -293.702513
where:
bonds (distance) C4'-P energy: -80.826
bonds (distance) P-C4' energy: -89.925
flat angles C4'-P-C4' energy: -72.032
flat angles P-C4'-P energy: -51.628
tors. eta vs tors. theta energy: 0.709
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: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1840.814551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.814551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.814551 (E_RNA)
where:
Base-Base interactions energy: -1290.500
where: short stacking energy: -540.972
Base-Backbone interact. energy: -4.571
local terms energy: -545.743460
where:
bonds (distance) C4'-P energy: -101.443
bonds (distance) P-C4' energy: -100.015
flat angles C4'-P-C4' energy: -108.225
flat angles P-C4'-P energy: -85.329
tors. eta vs tors. theta energy: -150.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1759.214938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.214938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.214938 (E_RNA)
where:
Base-Base interactions energy: -1231.951
where: short stacking energy: -508.481
Base-Backbone interact. energy: -2.367
local terms energy: -524.896808
where:
bonds (distance) C4'-P energy: -100.018
bonds (distance) P-C4' energy: -99.611
flat angles C4'-P-C4' energy: -116.785
flat angles P-C4'-P energy: -73.061
tors. eta vs tors. theta energy: -135.421
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: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1717.946452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.946452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.946452 (E_RNA)
where:
Base-Base interactions energy: -1201.549
where: short stacking energy: -489.106
Base-Backbone interact. energy: -2.632
local terms energy: -513.765262
where:
bonds (distance) C4'-P energy: -90.968
bonds (distance) P-C4' energy: -108.271
flat angles C4'-P-C4' energy: -106.378
flat angles P-C4'-P energy: -72.702
tors. eta vs tors. theta energy: -135.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1632.004108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.004108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.004108 (E_RNA)
where:
Base-Base interactions energy: -1145.705
where: short stacking energy: -482.408
Base-Backbone interact. energy: -3.510
local terms energy: -482.788654
where:
bonds (distance) C4'-P energy: -105.384
bonds (distance) P-C4' energy: -81.153
flat angles C4'-P-C4' energy: -96.880
flat angles P-C4'-P energy: -67.797
tors. eta vs tors. theta energy: -131.574
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: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1527.739247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.739247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.739247 (E_RNA)
where:
Base-Base interactions energy: -1053.696
where: short stacking energy: -441.830
Base-Backbone interact. energy: -0.617
local terms energy: -473.425983
where:
bonds (distance) C4'-P energy: -77.115
bonds (distance) P-C4' energy: -115.773
flat angles C4'-P-C4' energy: -92.004
flat angles P-C4'-P energy: -81.274
tors. eta vs tors. theta energy: -107.260
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: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1425.466536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.466536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.466536 (E_RNA)
where:
Base-Base interactions energy: -994.746
where: short stacking energy: -387.548
Base-Backbone interact. energy: -0.013
local terms energy: -430.707059
where:
bonds (distance) C4'-P energy: -92.309
bonds (distance) P-C4' energy: -85.562
flat angles C4'-P-C4' energy: -97.720
flat angles P-C4'-P energy: -59.860
tors. eta vs tors. theta energy: -95.256
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: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1375.478611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.478611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.478611 (E_RNA)
where:
Base-Base interactions energy: -968.215
where: short stacking energy: -420.592
Base-Backbone interact. energy: 1.989
local terms energy: -409.252741
where:
bonds (distance) C4'-P energy: -80.107
bonds (distance) P-C4' energy: -77.011
flat angles C4'-P-C4' energy: -94.171
flat angles P-C4'-P energy: -62.339
tors. eta vs tors. theta energy: -95.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1243.643245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.643245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.643245 (E_RNA)
where:
Base-Base interactions energy: -865.747
where: short stacking energy: -360.320
Base-Backbone interact. energy: -1.348
local terms energy: -376.548937
where:
bonds (distance) C4'-P energy: -66.266
bonds (distance) P-C4' energy: -85.124
flat angles C4'-P-C4' energy: -88.877
flat angles P-C4'-P energy: -49.695
tors. eta vs tors. theta energy: -86.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -991.267315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.267315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.267315 (E_RNA)
where:
Base-Base interactions energy: -631.742
where: short stacking energy: -299.702
Base-Backbone interact. energy: 2.878
local terms energy: -362.403565
where:
bonds (distance) C4'-P energy: -79.569
bonds (distance) P-C4' energy: -93.192
flat angles C4'-P-C4' energy: -87.314
flat angles P-C4'-P energy: -51.813
tors. eta vs tors. theta energy: -50.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -646.889486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.889486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.889486 (E_RNA)
where:
Base-Base interactions energy: -354.991
where: short stacking energy: -173.157
Base-Backbone interact. energy: 1.031
local terms energy: -292.928765
where:
bonds (distance) C4'-P energy: -85.175
bonds (distance) P-C4' energy: -94.289
flat angles C4'-P-C4' energy: -63.656
flat angles P-C4'-P energy: -47.791
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1815.565114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.565114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.565114 (E_RNA)
where:
Base-Base interactions energy: -1249.273
where: short stacking energy: -507.451
Base-Backbone interact. energy: -4.440
local terms energy: -561.852276
where:
bonds (distance) C4'-P energy: -108.497
bonds (distance) P-C4' energy: -112.986
flat angles C4'-P-C4' energy: -122.054
flat angles P-C4'-P energy: -78.366
tors. eta vs tors. theta energy: -139.949
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: 2, replica: 6
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1788.212981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.212981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.212981 (E_RNA)
where:
Base-Base interactions energy: -1258.341
where: short stacking energy: -515.702
Base-Backbone interact. energy: -4.221
local terms energy: -525.651672
where:
bonds (distance) C4'-P energy: -95.724
bonds (distance) P-C4' energy: -101.921
flat angles C4'-P-C4' energy: -113.642
flat angles P-C4'-P energy: -75.077
tors. eta vs tors. theta energy: -139.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1724.809890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.809890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.809890 (E_RNA)
where:
Base-Base interactions energy: -1224.310
where: short stacking energy: -479.882
Base-Backbone interact. energy: -1.271
local terms energy: -499.229378
where:
bonds (distance) C4'-P energy: -93.212
bonds (distance) P-C4' energy: -104.689
flat angles C4'-P-C4' energy: -100.777
flat angles P-C4'-P energy: -73.283
tors. eta vs tors. theta energy: -127.269
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: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1651.335792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.335792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.335792 (E_RNA)
where:
Base-Base interactions energy: -1141.335
where: short stacking energy: -470.497
Base-Backbone interact. energy: 0.396
local terms energy: -510.397065
where:
bonds (distance) C4'-P energy: -94.040
bonds (distance) P-C4' energy: -109.400
flat angles C4'-P-C4' energy: -105.684
flat angles P-C4'-P energy: -68.147
tors. eta vs tors. theta energy: -133.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1562.232253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.232253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.232253 (E_RNA)
where:
Base-Base interactions energy: -1080.669
where: short stacking energy: -443.937
Base-Backbone interact. energy: -1.893
local terms energy: -479.669804
where:
bonds (distance) C4'-P energy: -85.381
bonds (distance) P-C4' energy: -87.723
flat angles C4'-P-C4' energy: -106.228
flat angles P-C4'-P energy: -76.134
tors. eta vs tors. theta energy: -124.203
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: 300
Temperature: 1.150000
Total energy: -1446.885524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.885524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.885524 (E_RNA)
where:
Base-Base interactions energy: -992.903
where: short stacking energy: -410.714
Base-Backbone interact. energy: -1.361
local terms energy: -452.622089
where:
bonds (distance) C4'-P energy: -85.778
bonds (distance) P-C4' energy: -95.767
flat angles C4'-P-C4' energy: -95.424
flat angles P-C4'-P energy: -77.611
tors. eta vs tors. theta energy: -98.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1359.090059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.090059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.090059 (E_RNA)
where:
Base-Base interactions energy: -934.118
where: short stacking energy: -393.216
Base-Backbone interact. energy: -2.955
local terms energy: -422.017055
where:
bonds (distance) C4'-P energy: -84.724
bonds (distance) P-C4' energy: -85.928
flat angles C4'-P-C4' energy: -93.223
flat angles P-C4'-P energy: -66.360
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1207.952095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.952095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.952095 (E_RNA)
where:
Base-Base interactions energy: -812.754
where: short stacking energy: -341.318
Base-Backbone interact. energy: -2.094
local terms energy: -393.104474
where:
bonds (distance) C4'-P energy: -86.344
bonds (distance) P-C4' energy: -89.893
flat angles C4'-P-C4' energy: -83.765
flat angles P-C4'-P energy: -54.207
tors. eta vs tors. theta energy: -78.896
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: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1012.636467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.636467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.636467 (E_RNA)
where:
Base-Base interactions energy: -664.955
where: short stacking energy: -296.415
Base-Backbone interact. energy: -0.105
local terms energy: -347.576127
where:
bonds (distance) C4'-P energy: -69.014
bonds (distance) P-C4' energy: -83.627
flat angles C4'-P-C4' energy: -83.374
flat angles P-C4'-P energy: -56.317
tors. eta vs tors. theta energy: -55.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -616.309053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.309053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.309053 (E_RNA)
where:
Base-Base interactions energy: -330.836
where: short stacking energy: -168.279
Base-Backbone interact. energy: -1.972
local terms energy: -283.501411
where:
bonds (distance) C4'-P energy: -76.757
bonds (distance) P-C4' energy: -80.608
flat angles C4'-P-C4' energy: -75.132
flat angles P-C4'-P energy: -46.885
tors. eta vs tors. theta energy: -4.119
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: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1818.324263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.324263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.324263 (E_RNA)
where:
Base-Base interactions energy: -1278.845
where: short stacking energy: -531.664
Base-Backbone interact. energy: -3.824
local terms energy: -535.655093
where:
bonds (distance) C4'-P energy: -85.925
bonds (distance) P-C4' energy: -100.724
flat angles C4'-P-C4' energy: -121.706
flat angles P-C4'-P energy: -83.075
tors. eta vs tors. theta energy: -144.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1813.504108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.504108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.504108 (E_RNA)
where:
Base-Base interactions energy: -1275.244
where: short stacking energy: -529.737
Base-Backbone interact. energy: -0.516
local terms energy: -537.744037
where:
bonds (distance) C4'-P energy: -96.329
bonds (distance) P-C4' energy: -104.506
flat angles C4'-P-C4' energy: -117.681
flat angles P-C4'-P energy: -78.181
tors. eta vs tors. theta energy: -141.047
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: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1744.341177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.341177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.341177 (E_RNA)
where:
Base-Base interactions energy: -1225.201
where: short stacking energy: -479.155
Base-Backbone interact. energy: -0.821
local terms energy: -518.319001
where:
bonds (distance) C4'-P energy: -91.772
bonds (distance) P-C4' energy: -98.553
flat angles C4'-P-C4' energy: -115.232
flat angles P-C4'-P energy: -70.988
tors. eta vs tors. theta energy: -141.774
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: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1625.304885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.304885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.304885 (E_RNA)
where:
Base-Base interactions energy: -1134.451
where: short stacking energy: -454.586
Base-Backbone interact. energy: -3.606
local terms energy: -487.247794
where:
bonds (distance) C4'-P energy: -88.267
bonds (distance) P-C4' energy: -88.794
flat angles C4'-P-C4' energy: -114.233
flat angles P-C4'-P energy: -68.265
tors. eta vs tors. theta energy: -127.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1557.252097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.252097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.252097 (E_RNA)
where:
Base-Base interactions energy: -1088.254
where: short stacking energy: -444.865
Base-Backbone interact. energy: -1.762
local terms energy: -467.235638
where:
bonds (distance) C4'-P energy: -78.761
bonds (distance) P-C4' energy: -104.735
flat angles C4'-P-C4' energy: -103.479
flat angles P-C4'-P energy: -65.533
tors. eta vs tors. theta energy: -114.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1476.351481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.351481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.351481 (E_RNA)
where:
Base-Base interactions energy: -1025.500
where: short stacking energy: -414.261
Base-Backbone interact. energy: -1.721
local terms energy: -449.130939
where:
bonds (distance) C4'-P energy: -88.222
bonds (distance) P-C4' energy: -93.604
flat angles C4'-P-C4' energy: -100.845
flat angles P-C4'-P energy: -62.151
tors. eta vs tors. theta energy: -104.309
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: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1357.981829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.981829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.981829 (E_RNA)
where:
Base-Base interactions energy: -936.216
where: short stacking energy: -406.685
Base-Backbone interact. energy: -0.539
local terms energy: -421.227499
where:
bonds (distance) C4'-P energy: -83.514
bonds (distance) P-C4' energy: -83.344
flat angles C4'-P-C4' energy: -87.813
flat angles P-C4'-P energy: -63.347
tors. eta vs tors. theta energy: -103.209
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: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1185.626368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.626368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.626368 (E_RNA)
where:
Base-Base interactions energy: -797.471
where: short stacking energy: -328.415
Base-Backbone interact. energy: 1.350
local terms energy: -389.505568
where:
bonds (distance) C4'-P energy: -74.116
bonds (distance) P-C4' energy: -82.395
flat angles C4'-P-C4' energy: -85.748
flat angles P-C4'-P energy: -71.420
tors. eta vs tors. theta energy: -75.827
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: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -986.086517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.086517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.086517 (E_RNA)
where:
Base-Base interactions energy: -658.254
where: short stacking energy: -298.413
Base-Backbone interact. energy: 5.599
local terms energy: -333.431368
where:
bonds (distance) C4'-P energy: -69.700
bonds (distance) P-C4' energy: -86.160
flat angles C4'-P-C4' energy: -87.074
flat angles P-C4'-P energy: -43.376
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: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -692.934748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.934748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.934748 (E_RNA)
where:
Base-Base interactions energy: -384.526
where: short stacking energy: -178.442
Base-Backbone interact. energy: 1.879
local terms energy: -310.287953
where:
bonds (distance) C4'-P energy: -89.352
bonds (distance) P-C4' energy: -92.333
flat angles C4'-P-C4' energy: -85.439
flat angles P-C4'-P energy: -38.762
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1858.881165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.881165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.881165 (E_RNA)
where:
Base-Base interactions energy: -1308.204
where: short stacking energy: -527.146
Base-Backbone interact. energy: -3.542
local terms energy: -547.135186
where:
bonds (distance) C4'-P energy: -100.798
bonds (distance) P-C4' energy: -103.533
flat angles C4'-P-C4' energy: -116.152
flat angles P-C4'-P energy: -82.819
tors. eta vs tors. theta energy: -143.834
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: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1788.771417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.771417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.771417 (E_RNA)
where:
Base-Base interactions energy: -1256.353
where: short stacking energy: -517.591
Base-Backbone interact. energy: -2.277
local terms energy: -530.140915
where:
bonds (distance) C4'-P energy: -94.066
bonds (distance) P-C4' energy: -100.905
flat angles C4'-P-C4' energy: -116.229
flat angles P-C4'-P energy: -70.605
tors. eta vs tors. theta energy: -148.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1771.106121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.106121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.106121 (E_RNA)
where:
Base-Base interactions energy: -1270.254
where: short stacking energy: -496.997
Base-Backbone interact. energy: -1.011
local terms energy: -499.840950
where:
bonds (distance) C4'-P energy: -83.691
bonds (distance) P-C4' energy: -93.894
flat angles C4'-P-C4' energy: -109.661
flat angles P-C4'-P energy: -67.838
tors. eta vs tors. theta energy: -144.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1706.786502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.786502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.786502 (E_RNA)
where:
Base-Base interactions energy: -1196.714
where: short stacking energy: -505.783
Base-Backbone interact. energy: -3.278
local terms energy: -506.794780
where:
bonds (distance) C4'-P energy: -88.906
bonds (distance) P-C4' energy: -98.371
flat angles C4'-P-C4' energy: -112.573
flat angles P-C4'-P energy: -77.609
tors. eta vs tors. theta energy: -129.336
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: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1631.736752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.736752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.736752 (E_RNA)
where:
Base-Base interactions energy: -1130.942
where: short stacking energy: -469.921
Base-Backbone interact. energy: 0.868
local terms energy: -501.663300
where:
bonds (distance) C4'-P energy: -91.430
bonds (distance) P-C4' energy: -101.513
flat angles C4'-P-C4' energy: -110.357
flat angles P-C4'-P energy: -69.278
tors. eta vs tors. theta energy: -129.085
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: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1483.076645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.076645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.076645 (E_RNA)
where:
Base-Base interactions energy: -1048.814
where: short stacking energy: -433.136
Base-Backbone interact. energy: 3.821
local terms energy: -438.083668
where:
bonds (distance) C4'-P energy: -68.958
bonds (distance) P-C4' energy: -82.502
flat angles C4'-P-C4' energy: -99.825
flat angles P-C4'-P energy: -79.458
tors. eta vs tors. theta energy: -107.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1303.169167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.169167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.169167 (E_RNA)
where:
Base-Base interactions energy: -869.992
where: short stacking energy: -377.313
Base-Backbone interact. energy: -2.019
local terms energy: -431.158212
where:
bonds (distance) C4'-P energy: -87.457
bonds (distance) P-C4' energy: -92.937
flat angles C4'-P-C4' energy: -95.395
flat angles P-C4'-P energy: -59.190
tors. eta vs tors. theta energy: -96.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1183.859570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.859570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.859570 (E_RNA)
where:
Base-Base interactions energy: -789.757
where: short stacking energy: -332.322
Base-Backbone interact. energy: 0.605
local terms energy: -394.707978
where:
bonds (distance) C4'-P energy: -93.728
bonds (distance) P-C4' energy: -76.112
flat angles C4'-P-C4' energy: -103.246
flat angles P-C4'-P energy: -55.671
tors. eta vs tors. theta energy: -65.950
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: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -897.897020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.897020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.897020 (E_RNA)
where:
Base-Base interactions energy: -553.953
where: short stacking energy: -261.849
Base-Backbone interact. energy: 1.540
local terms energy: -345.484003
where:
bonds (distance) C4'-P energy: -73.944
bonds (distance) P-C4' energy: -90.995
flat angles C4'-P-C4' energy: -92.442
flat angles P-C4'-P energy: -59.212
tors. eta vs tors. theta energy: -28.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -704.878301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.878301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.878301 (E_RNA)
where:
Base-Base interactions energy: -399.005
where: short stacking energy: -211.778
Base-Backbone interact. energy: 2.710
local terms energy: -308.583910
where:
bonds (distance) C4'-P energy: -81.106
bonds (distance) P-C4' energy: -94.382
flat angles C4'-P-C4' energy: -77.573
flat angles P-C4'-P energy: -41.409
tors. eta vs tors. theta energy: -14.113
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: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1819.993668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.993668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.993668 (E_RNA)
where:
Base-Base interactions energy: -1287.521
where: short stacking energy: -531.222
Base-Backbone interact. energy: -3.167
local terms energy: -529.305163
where:
bonds (distance) C4'-P energy: -95.426
bonds (distance) P-C4' energy: -98.568
flat angles C4'-P-C4' energy: -119.821
flat angles P-C4'-P energy: -71.930
tors. eta vs tors. theta energy: -143.560
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: 303
Temperature: 0.950000
Total energy: -1809.493408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.493408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.493408 (E_RNA)
where:
Base-Base interactions energy: -1263.471
where: short stacking energy: -518.462
Base-Backbone interact. energy: -1.034
local terms energy: -544.988877
where:
bonds (distance) C4'-P energy: -96.628
bonds (distance) P-C4' energy: -110.158
flat angles C4'-P-C4' energy: -110.075
flat angles P-C4'-P energy: -82.784
tors. eta vs tors. theta energy: -145.344
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: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1742.965519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.965519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.965519 (E_RNA)
where:
Base-Base interactions energy: -1247.248
where: short stacking energy: -500.393
Base-Backbone interact. energy: -3.930
local terms energy: -491.787027
where:
bonds (distance) C4'-P energy: -96.313
bonds (distance) P-C4' energy: -90.558
flat angles C4'-P-C4' energy: -107.434
flat angles P-C4'-P energy: -65.191
tors. eta vs tors. theta energy: -132.290
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: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1655.371899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.371899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.371899 (E_RNA)
where:
Base-Base interactions energy: -1165.207
where: short stacking energy: -495.906
Base-Backbone interact. energy: -2.863
local terms energy: -487.302261
where:
bonds (distance) C4'-P energy: -84.431
bonds (distance) P-C4' energy: -93.394
flat angles C4'-P-C4' energy: -106.752
flat angles P-C4'-P energy: -67.570
tors. eta vs tors. theta energy: -135.155
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: 303
Temperature: 1.100000
Total energy: -1534.098920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.098920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.098920 (E_RNA)
where:
Base-Base interactions energy: -1079.371
where: short stacking energy: -452.242
Base-Backbone interact. energy: 0.663
local terms energy: -455.390905
where:
bonds (distance) C4'-P energy: -88.773
bonds (distance) P-C4' energy: -90.100
flat angles C4'-P-C4' energy: -90.475
flat angles P-C4'-P energy: -57.135
tors. eta vs tors. theta energy: -128.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1480.282459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.282459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.282459 (E_RNA)
where:
Base-Base interactions energy: -1026.458
where: short stacking energy: -439.048
Base-Backbone interact. energy: -1.998
local terms energy: -451.826756
where:
bonds (distance) C4'-P energy: -81.976
bonds (distance) P-C4' energy: -86.026
flat angles C4'-P-C4' energy: -107.867
flat angles P-C4'-P energy: -57.372
tors. eta vs tors. theta energy: -118.586
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: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1339.686759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.686759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.686759 (E_RNA)
where:
Base-Base interactions energy: -920.884
where: short stacking energy: -397.945
Base-Backbone interact. energy: -1.899
local terms energy: -416.903810
where:
bonds (distance) C4'-P energy: -81.375
bonds (distance) P-C4' energy: -91.684
flat angles C4'-P-C4' energy: -94.421
flat angles P-C4'-P energy: -55.144
tors. eta vs tors. theta energy: -94.279
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: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1225.964533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.964533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.964533 (E_RNA)
where:
Base-Base interactions energy: -820.972
where: short stacking energy: -354.204
Base-Backbone interact. energy: -1.396
local terms energy: -403.596444
where:
bonds (distance) C4'-P energy: -88.104
bonds (distance) P-C4' energy: -86.800
flat angles C4'-P-C4' energy: -84.895
flat angles P-C4'-P energy: -67.057
tors. eta vs tors. theta energy: -76.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -895.808127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.808127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.808127 (E_RNA)
where:
Base-Base interactions energy: -531.409
where: short stacking energy: -260.490
Base-Backbone interact. energy: -1.037
local terms energy: -363.361914
where:
bonds (distance) C4'-P energy: -80.915
bonds (distance) P-C4' energy: -87.063
flat angles C4'-P-C4' energy: -93.736
flat angles P-C4'-P energy: -60.060
tors. eta vs tors. theta energy: -41.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -611.474173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.474173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.474173 (E_RNA)
where:
Base-Base interactions energy: -331.331
where: short stacking energy: -173.821
Base-Backbone interact. energy: 0.678
local terms energy: -280.821415
where:
bonds (distance) C4'-P energy: -78.069
bonds (distance) P-C4' energy: -88.750
flat angles C4'-P-C4' energy: -57.552
flat angles P-C4'-P energy: -50.987
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1828.729808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.729808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.729808 (E_RNA)
where:
Base-Base interactions energy: -1303.064
where: short stacking energy: -529.859
Base-Backbone interact. energy: -2.996
local terms energy: -522.670061
where:
bonds (distance) C4'-P energy: -86.764
bonds (distance) P-C4' energy: -106.574
flat angles C4'-P-C4' energy: -116.565
flat angles P-C4'-P energy: -74.579
tors. eta vs tors. theta energy: -138.188
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: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1807.771022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.771022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.771022 (E_RNA)
where:
Base-Base interactions energy: -1275.428
where: short stacking energy: -525.722
Base-Backbone interact. energy: -2.772
local terms energy: -529.570594
where:
bonds (distance) C4'-P energy: -89.192
bonds (distance) P-C4' energy: -108.410
flat angles C4'-P-C4' energy: -114.547
flat angles P-C4'-P energy: -73.890
tors. eta vs tors. theta energy: -143.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1757.153834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.153834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.153834 (E_RNA)
where:
Base-Base interactions energy: -1239.256
where: short stacking energy: -492.329
Base-Backbone interact. energy: -4.152
local terms energy: -513.746791
where:
bonds (distance) C4'-P energy: -105.311
bonds (distance) P-C4' energy: -94.684
flat angles C4'-P-C4' energy: -114.999
flat angles P-C4'-P energy: -64.064
tors. eta vs tors. theta energy: -134.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1641.898559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.898559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.898559 (E_RNA)
where:
Base-Base interactions energy: -1164.526
where: short stacking energy: -473.161
Base-Backbone interact. energy: -4.158
local terms energy: -473.214027
where:
bonds (distance) C4'-P energy: -78.467
bonds (distance) P-C4' energy: -94.435
flat angles C4'-P-C4' energy: -107.159
flat angles P-C4'-P energy: -61.147
tors. eta vs tors. theta energy: -132.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1527.759778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.759778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.759778 (E_RNA)
where:
Base-Base interactions energy: -1055.667
where: short stacking energy: -421.562
Base-Backbone interact. energy: -1.045
local terms energy: -471.047195
where:
bonds (distance) C4'-P energy: -92.249
bonds (distance) P-C4' energy: -92.095
flat angles C4'-P-C4' energy: -109.839
flat angles P-C4'-P energy: -69.546
tors. eta vs tors. theta energy: -107.319
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: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1484.659745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.659745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.659745 (E_RNA)
where:
Base-Base interactions energy: -1026.654
where: short stacking energy: -408.751
Base-Backbone interact. energy: -3.690
local terms energy: -454.316052
where:
bonds (distance) C4'-P energy: -91.773
bonds (distance) P-C4' energy: -89.628
flat angles C4'-P-C4' energy: -87.627
flat angles P-C4'-P energy: -69.700
tors. eta vs tors. theta energy: -115.587
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: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1296.791490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.791490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.791490 (E_RNA)
where:
Base-Base interactions energy: -886.380
where: short stacking energy: -378.289
Base-Backbone interact. energy: 5.848
local terms energy: -416.259871
where:
bonds (distance) C4'-P energy: -100.717
bonds (distance) P-C4' energy: -82.594
flat angles C4'-P-C4' energy: -83.261
flat angles P-C4'-P energy: -69.265
tors. eta vs tors. theta energy: -80.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1152.567211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.567211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.567211 (E_RNA)
where:
Base-Base interactions energy: -767.823
where: short stacking energy: -327.774
Base-Backbone interact. energy: -3.341
local terms energy: -381.403142
where:
bonds (distance) C4'-P energy: -84.787
bonds (distance) P-C4' energy: -70.650
flat angles C4'-P-C4' energy: -94.472
flat angles P-C4'-P energy: -52.866
tors. eta vs tors. theta energy: -78.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -860.123908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.123908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.123908 (E_RNA)
where:
Base-Base interactions energy: -531.130
where: short stacking energy: -265.501
Base-Backbone interact. energy: -1.207
local terms energy: -327.786303
where:
bonds (distance) C4'-P energy: -77.099
bonds (distance) P-C4' energy: -77.765
flat angles C4'-P-C4' energy: -93.717
flat angles P-C4'-P energy: -48.598
tors. eta vs tors. theta energy: -30.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -552.574107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.574107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.574107 (E_RNA)
where:
Base-Base interactions energy: -255.048
where: short stacking energy: -153.075
Base-Backbone interact. energy: -0.112
local terms energy: -297.414479
where:
bonds (distance) C4'-P energy: -83.057
bonds (distance) P-C4' energy: -102.645
flat angles C4'-P-C4' energy: -65.184
flat angles P-C4'-P energy: -48.655
tors. eta vs tors. theta energy: 2.127
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: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1831.051171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.051171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.051171 (E_RNA)
where:
Base-Base interactions energy: -1295.194
where: short stacking energy: -527.281
Base-Backbone interact. energy: -5.815
local terms energy: -530.042940
where:
bonds (distance) C4'-P energy: -98.950
bonds (distance) P-C4' energy: -96.434
flat angles C4'-P-C4' energy: -118.728
flat angles P-C4'-P energy: -76.452
tors. eta vs tors. theta energy: -139.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1809.250723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.250723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.250723 (E_RNA)
where:
Base-Base interactions energy: -1274.662
where: short stacking energy: -533.692
Base-Backbone interact. energy: -3.397
local terms energy: -531.191818
where:
bonds (distance) C4'-P energy: -86.369
bonds (distance) P-C4' energy: -104.271
flat angles C4'-P-C4' energy: -113.281
flat angles P-C4'-P energy: -87.730
tors. eta vs tors. theta energy: -139.541
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: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1729.980780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.980780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.980780 (E_RNA)
where:
Base-Base interactions energy: -1219.925
where: short stacking energy: -493.615
Base-Backbone interact. energy: -2.578
local terms energy: -507.477805
where:
bonds (distance) C4'-P energy: -98.919
bonds (distance) P-C4' energy: -102.845
flat angles C4'-P-C4' energy: -114.612
flat angles P-C4'-P energy: -63.023
tors. eta vs tors. theta energy: -128.079
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: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1647.054686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.054686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.054686 (E_RNA)
where:
Base-Base interactions energy: -1131.582
where: short stacking energy: -487.267
Base-Backbone interact. energy: 2.953
local terms energy: -518.426176
where:
bonds (distance) C4'-P energy: -82.603
bonds (distance) P-C4' energy: -101.915
flat angles C4'-P-C4' energy: -110.944
flat angles P-C4'-P energy: -85.752
tors. eta vs tors. theta energy: -137.212
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: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1505.278620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.278620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.278620 (E_RNA)
where:
Base-Base interactions energy: -1075.788
where: short stacking energy: -437.350
Base-Backbone interact. energy: 2.800
local terms energy: -432.291330
where:
bonds (distance) C4'-P energy: -81.853
bonds (distance) P-C4' energy: -90.111
flat angles C4'-P-C4' energy: -102.833
flat angles P-C4'-P energy: -53.508
tors. eta vs tors. theta energy: -103.986
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: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1491.015050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.015050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.015050 (E_RNA)
where:
Base-Base interactions energy: -1079.967
where: short stacking energy: -423.268
Base-Backbone interact. energy: -2.745
local terms energy: -408.302710
where:
bonds (distance) C4'-P energy: -73.003
bonds (distance) P-C4' energy: -79.221
flat angles C4'-P-C4' energy: -90.596
flat angles P-C4'-P energy: -59.612
tors. eta vs tors. theta energy: -105.870
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: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1236.119822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.119822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.119822 (E_RNA)
where:
Base-Base interactions energy: -806.412
where: short stacking energy: -344.897
Base-Backbone interact. energy: -4.510
local terms energy: -425.198329
where:
bonds (distance) C4'-P energy: -93.023
bonds (distance) P-C4' energy: -92.473
flat angles C4'-P-C4' energy: -96.902
flat angles P-C4'-P energy: -59.662
tors. eta vs tors. theta energy: -83.139
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: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1172.214617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.214617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.214617 (E_RNA)
where:
Base-Base interactions energy: -791.163
where: short stacking energy: -313.173
Base-Backbone interact. energy: -4.316
local terms energy: -376.734944
where:
bonds (distance) C4'-P energy: -74.455
bonds (distance) P-C4' energy: -86.145
flat angles C4'-P-C4' energy: -114.166
flat angles P-C4'-P energy: -53.801
tors. eta vs tors. theta energy: -48.168
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: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -924.941705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.941705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.941705 (E_RNA)
where:
Base-Base interactions energy: -554.587
where: short stacking energy: -260.601
Base-Backbone interact. energy: -1.625
local terms energy: -368.728986
where:
bonds (distance) C4'-P energy: -90.937
bonds (distance) P-C4' energy: -88.203
flat angles C4'-P-C4' energy: -87.804
flat angles P-C4'-P energy: -56.724
tors. eta vs tors. theta energy: -45.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -589.170901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.170901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.170901 (E_RNA)
where:
Base-Base interactions energy: -312.874
where: short stacking energy: -157.071
Base-Backbone interact. energy: -1.280
local terms energy: -275.016850
where:
bonds (distance) C4'-P energy: -80.013
bonds (distance) P-C4' energy: -89.498
flat angles C4'-P-C4' energy: -75.003
flat angles P-C4'-P energy: -34.312
tors. eta vs tors. theta energy: 3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1849.165273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.165273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.165273 (E_RNA)
where:
Base-Base interactions energy: -1306.025
where: short stacking energy: -526.521
Base-Backbone interact. energy: -2.664
local terms energy: -540.475311
where:
bonds (distance) C4'-P energy: -103.249
bonds (distance) P-C4' energy: -104.133
flat angles C4'-P-C4' energy: -114.038
flat angles P-C4'-P energy: -75.719
tors. eta vs tors. theta energy: -143.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1781.364525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.364525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.364525 (E_RNA)
where:
Base-Base interactions energy: -1258.420
where: short stacking energy: -520.513
Base-Backbone interact. energy: -0.362
local terms energy: -522.582571
where:
bonds (distance) C4'-P energy: -71.958
bonds (distance) P-C4' energy: -103.584
flat angles C4'-P-C4' energy: -117.014
flat angles P-C4'-P energy: -86.065
tors. eta vs tors. theta energy: -143.961
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: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1770.197082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.197082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.197082 (E_RNA)
where:
Base-Base interactions energy: -1263.424
where: short stacking energy: -495.281
Base-Backbone interact. energy: 1.042
local terms energy: -507.815923
where:
bonds (distance) C4'-P energy: -89.859
bonds (distance) P-C4' energy: -101.815
flat angles C4'-P-C4' energy: -109.519
flat angles P-C4'-P energy: -66.674
tors. eta vs tors. theta energy: -139.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1616.198820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.198820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.198820 (E_RNA)
where:
Base-Base interactions energy: -1144.248
where: short stacking energy: -485.827
Base-Backbone interact. energy: 1.293
local terms energy: -473.243712
where:
bonds (distance) C4'-P energy: -97.371
bonds (distance) P-C4' energy: -93.972
flat angles C4'-P-C4' energy: -112.089
flat angles P-C4'-P energy: -50.357
tors. eta vs tors. theta energy: -119.455
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: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1526.414896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.414896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.414896 (E_RNA)
where:
Base-Base interactions energy: -1069.677
where: short stacking energy: -431.374
Base-Backbone interact. energy: -2.156
local terms energy: -454.582303
where:
bonds (distance) C4'-P energy: -87.362
bonds (distance) P-C4' energy: -91.989
flat angles C4'-P-C4' energy: -100.053
flat angles P-C4'-P energy: -62.764
tors. eta vs tors. theta energy: -112.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1454.394938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.394938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.394938 (E_RNA)
where:
Base-Base interactions energy: -1006.597
where: short stacking energy: -403.753
Base-Backbone interact. energy: -0.722
local terms energy: -447.076199
where:
bonds (distance) C4'-P energy: -94.597
bonds (distance) P-C4' energy: -93.879
flat angles C4'-P-C4' energy: -101.017
flat angles P-C4'-P energy: -62.591
tors. eta vs tors. theta energy: -94.993
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: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1308.462453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.462453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.462453 (E_RNA)
where:
Base-Base interactions energy: -909.403
where: short stacking energy: -376.523
Base-Backbone interact. energy: 2.622
local terms energy: -401.681518
where:
bonds (distance) C4'-P energy: -80.083
bonds (distance) P-C4' energy: -74.273
flat angles C4'-P-C4' energy: -103.529
flat angles P-C4'-P energy: -60.272
tors. eta vs tors. theta energy: -83.524
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: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1187.354354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.354354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.354354 (E_RNA)
where:
Base-Base interactions energy: -789.687
where: short stacking energy: -316.011
Base-Backbone interact. energy: -3.980
local terms energy: -393.686633
where:
bonds (distance) C4'-P energy: -84.735
bonds (distance) P-C4' energy: -93.054
flat angles C4'-P-C4' energy: -97.191
flat angles P-C4'-P energy: -65.087
tors. eta vs tors. theta energy: -53.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -934.646066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.646066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.646066 (E_RNA)
where:
Base-Base interactions energy: -590.993
where: short stacking energy: -280.362
Base-Backbone interact. energy: -1.928
local terms energy: -341.724815
where:
bonds (distance) C4'-P energy: -77.887
bonds (distance) P-C4' energy: -67.584
flat angles C4'-P-C4' energy: -91.090
flat angles P-C4'-P energy: -54.232
tors. eta vs tors. theta energy: -50.931
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: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -647.503554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.503554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.503554 (E_RNA)
where:
Base-Base interactions energy: -367.247
where: short stacking energy: -168.710
Base-Backbone interact. energy: -3.062
local terms energy: -277.194875
where:
bonds (distance) C4'-P energy: -82.746
bonds (distance) P-C4' energy: -65.675
flat angles C4'-P-C4' energy: -83.171
flat angles P-C4'-P energy: -40.957
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1859.626418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.626418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.626418 (E_RNA)
where:
Base-Base interactions energy: -1331.107
where: short stacking energy: -534.360
Base-Backbone interact. energy: -5.229
local terms energy: -523.290349
where:
bonds (distance) C4'-P energy: -95.646
bonds (distance) P-C4' energy: -99.798
flat angles C4'-P-C4' energy: -115.459
flat angles P-C4'-P energy: -68.459
tors. eta vs tors. theta energy: -143.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1797.674958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.674958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.674958 (E_RNA)
where:
Base-Base interactions energy: -1255.671
where: short stacking energy: -504.028
Base-Backbone interact. energy: -6.765
local terms energy: -535.238551
where:
bonds (distance) C4'-P energy: -102.698
bonds (distance) P-C4' energy: -107.021
flat angles C4'-P-C4' energy: -114.779
flat angles P-C4'-P energy: -71.650
tors. eta vs tors. theta energy: -139.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1724.710048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.710048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.710048 (E_RNA)
where:
Base-Base interactions energy: -1210.502
where: short stacking energy: -501.610
Base-Backbone interact. energy: -1.794
local terms energy: -512.414201
where:
bonds (distance) C4'-P energy: -87.628
bonds (distance) P-C4' energy: -90.545
flat angles C4'-P-C4' energy: -106.270
flat angles P-C4'-P energy: -82.692
tors. eta vs tors. theta energy: -145.280
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: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1594.260990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.260990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.260990 (E_RNA)
where:
Base-Base interactions energy: -1120.675
where: short stacking energy: -504.995
Base-Backbone interact. energy: -2.938
local terms energy: -470.648023
where:
bonds (distance) C4'-P energy: -75.670
bonds (distance) P-C4' energy: -94.511
flat angles C4'-P-C4' energy: -93.860
flat angles P-C4'-P energy: -72.756
tors. eta vs tors. theta energy: -133.852
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: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1519.745361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.745361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.745361 (E_RNA)
where:
Base-Base interactions energy: -1065.394
where: short stacking energy: -413.616
Base-Backbone interact. energy: 0.047
local terms energy: -454.397941
where:
bonds (distance) C4'-P energy: -84.156
bonds (distance) P-C4' energy: -101.530
flat angles C4'-P-C4' energy: -97.371
flat angles P-C4'-P energy: -65.085
tors. eta vs tors. theta energy: -106.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1396.971981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.971981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.971981 (E_RNA)
where:
Base-Base interactions energy: -985.989
where: short stacking energy: -380.379
Base-Backbone interact. energy: -1.682
local terms energy: -409.301485
where:
bonds (distance) C4'-P energy: -78.898
bonds (distance) P-C4' energy: -83.650
flat angles C4'-P-C4' energy: -85.223
flat angles P-C4'-P energy: -70.519
tors. eta vs tors. theta energy: -91.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1328.497196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.497196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.497196 (E_RNA)
where:
Base-Base interactions energy: -877.416
where: short stacking energy: -364.890
Base-Backbone interact. energy: -1.406
local terms energy: -449.675250
where:
bonds (distance) C4'-P energy: -85.056
bonds (distance) P-C4' energy: -95.099
flat angles C4'-P-C4' energy: -98.411
flat angles P-C4'-P energy: -67.858
tors. eta vs tors. theta energy: -103.252
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: 8, replica: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1182.524999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.524999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.524999 (E_RNA)
where:
Base-Base interactions energy: -802.174
where: short stacking energy: -342.870
Base-Backbone interact. energy: 1.188
local terms energy: -381.538360
where:
bonds (distance) C4'-P energy: -80.204
bonds (distance) P-C4' energy: -91.877
flat angles C4'-P-C4' energy: -99.969
flat angles P-C4'-P energy: -40.305
tors. eta vs tors. theta energy: -69.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -934.313378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.313378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.313378 (E_RNA)
where:
Base-Base interactions energy: -583.773
where: short stacking energy: -279.769
Base-Backbone interact. energy: 0.167
local terms energy: -350.707646
where:
bonds (distance) C4'-P energy: -82.986
bonds (distance) P-C4' energy: -89.810
flat angles C4'-P-C4' energy: -72.967
flat angles P-C4'-P energy: -55.978
tors. eta vs tors. theta energy: -48.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -661.458079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.458079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.458079 (E_RNA)
where:
Base-Base interactions energy: -386.927
where: short stacking energy: -190.539
Base-Backbone interact. energy: 0.831
local terms energy: -275.362321
where:
bonds (distance) C4'-P energy: -78.822
bonds (distance) P-C4' energy: -79.133
flat angles C4'-P-C4' energy: -69.308
flat angles P-C4'-P energy: -49.471
tors. eta vs tors. theta energy: 1.372
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: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1868.029945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.029945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.029945 (E_RNA)
where:
Base-Base interactions energy: -1341.273
where: short stacking energy: -521.711
Base-Backbone interact. energy: -5.010
local terms energy: -521.747119
where:
bonds (distance) C4'-P energy: -77.739
bonds (distance) P-C4' energy: -118.090
flat angles C4'-P-C4' energy: -116.642
flat angles P-C4'-P energy: -73.244
tors. eta vs tors. theta energy: -136.031
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: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1793.187188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.187188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.187188 (E_RNA)
where:
Base-Base interactions energy: -1264.396
where: short stacking energy: -514.647
Base-Backbone interact. energy: -2.952
local terms energy: -525.839061
where:
bonds (distance) C4'-P energy: -94.270
bonds (distance) P-C4' energy: -95.783
flat angles C4'-P-C4' energy: -115.284
flat angles P-C4'-P energy: -84.556
tors. eta vs tors. theta energy: -135.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1717.007561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.007561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.007561 (E_RNA)
where:
Base-Base interactions energy: -1207.613
where: short stacking energy: -495.639
Base-Backbone interact. energy: -1.802
local terms energy: -507.592469
where:
bonds (distance) C4'-P energy: -91.252
bonds (distance) P-C4' energy: -104.563
flat angles C4'-P-C4' energy: -106.283
flat angles P-C4'-P energy: -70.897
tors. eta vs tors. theta energy: -134.598
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: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1581.843262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.843262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.843262 (E_RNA)
where:
Base-Base interactions energy: -1096.970
where: short stacking energy: -457.371
Base-Backbone interact. energy: -0.382
local terms energy: -484.491533
where:
bonds (distance) C4'-P energy: -91.085
bonds (distance) P-C4' energy: -97.906
flat angles C4'-P-C4' energy: -100.944
flat angles P-C4'-P energy: -74.773
tors. eta vs tors. theta energy: -119.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1561.064703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.064703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.064703 (E_RNA)
where:
Base-Base interactions energy: -1080.933
where: short stacking energy: -438.572
Base-Backbone interact. energy: -2.232
local terms energy: -477.899974
where:
bonds (distance) C4'-P energy: -90.751
bonds (distance) P-C4' energy: -82.296
flat angles C4'-P-C4' energy: -113.668
flat angles P-C4'-P energy: -68.656
tors. eta vs tors. theta energy: -122.528
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: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1369.395252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.395252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.395252 (E_RNA)
where:
Base-Base interactions energy: -945.723
where: short stacking energy: -391.374
Base-Backbone interact. energy: -1.831
local terms energy: -421.841188
where:
bonds (distance) C4'-P energy: -77.620
bonds (distance) P-C4' energy: -87.134
flat angles C4'-P-C4' energy: -101.522
flat angles P-C4'-P energy: -64.767
tors. eta vs tors. theta energy: -90.799
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: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1326.780542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.780542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.780542 (E_RNA)
where:
Base-Base interactions energy: -897.663
where: short stacking energy: -386.011
Base-Backbone interact. energy: -2.911
local terms energy: -426.206704
where:
bonds (distance) C4'-P energy: -93.709
bonds (distance) P-C4' energy: -87.289
flat angles C4'-P-C4' energy: -87.408
flat angles P-C4'-P energy: -62.390
tors. eta vs tors. theta energy: -95.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1262.967702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.967702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.967702 (E_RNA)
where:
Base-Base interactions energy: -885.912
where: short stacking energy: -364.917
Base-Backbone interact. energy: -0.375
local terms energy: -376.680242
where:
bonds (distance) C4'-P energy: -80.421
bonds (distance) P-C4' energy: -91.521
flat angles C4'-P-C4' energy: -78.605
flat angles P-C4'-P energy: -60.039
tors. eta vs tors. theta energy: -66.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -981.144144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.144144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.144144 (E_RNA)
where:
Base-Base interactions energy: -647.449
where: short stacking energy: -303.208
Base-Backbone interact. energy: -2.289
local terms energy: -331.406863
where:
bonds (distance) C4'-P energy: -74.119
bonds (distance) P-C4' energy: -67.160
flat angles C4'-P-C4' energy: -83.113
flat angles P-C4'-P energy: -48.910
tors. eta vs tors. theta energy: -58.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -698.394882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.394882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.394882 (E_RNA)
where:
Base-Base interactions energy: -406.319
where: short stacking energy: -185.883
Base-Backbone interact. energy: -1.193
local terms energy: -290.883555
where:
bonds (distance) C4'-P energy: -87.243
bonds (distance) P-C4' energy: -84.985
flat angles C4'-P-C4' energy: -64.204
flat angles P-C4'-P energy: -45.423
tors. eta vs tors. theta energy: -9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1837.844490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.844490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.844490 (E_RNA)
where:
Base-Base interactions energy: -1284.339
where: short stacking energy: -530.413
Base-Backbone interact. energy: -2.640
local terms energy: -550.865520
where:
bonds (distance) C4'-P energy: -96.429
bonds (distance) P-C4' energy: -112.019
flat angles C4'-P-C4' energy: -116.312
flat angles P-C4'-P energy: -84.817
tors. eta vs tors. theta energy: -141.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1804.318735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.318735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.318735 (E_RNA)
where:
Base-Base interactions energy: -1266.177
where: short stacking energy: -495.712
Base-Backbone interact. energy: -4.818
local terms energy: -533.323597
where:
bonds (distance) C4'-P energy: -94.223
bonds (distance) P-C4' energy: -97.334
flat angles C4'-P-C4' energy: -113.156
flat angles P-C4'-P energy: -86.759
tors. eta vs tors. theta energy: -141.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1694.094766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.094766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.094766 (E_RNA)
where:
Base-Base interactions energy: -1179.494
where: short stacking energy: -507.194
Base-Backbone interact. energy: -1.702
local terms energy: -512.899218
where:
bonds (distance) C4'-P energy: -99.687
bonds (distance) P-C4' energy: -87.064
flat angles C4'-P-C4' energy: -111.066
flat angles P-C4'-P energy: -67.388
tors. eta vs tors. theta energy: -147.694
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: 309
Temperature: 1.050000
Total energy: -1599.073258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.073258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.073258 (E_RNA)
where:
Base-Base interactions energy: -1106.367
where: short stacking energy: -447.872
Base-Backbone interact. energy: -2.731
local terms energy: -489.976034
where:
bonds (distance) C4'-P energy: -89.313
bonds (distance) P-C4' energy: -98.838
flat angles C4'-P-C4' energy: -118.908
flat angles P-C4'-P energy: -61.877
tors. eta vs tors. theta energy: -121.041
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: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1503.541666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.541666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.541666 (E_RNA)
where:
Base-Base interactions energy: -1043.660
where: short stacking energy: -400.002
Base-Backbone interact. energy: 3.000
local terms energy: -462.882017
where:
bonds (distance) C4'-P energy: -104.924
bonds (distance) P-C4' energy: -90.194
flat angles C4'-P-C4' energy: -97.794
flat angles P-C4'-P energy: -61.904
tors. eta vs tors. theta energy: -108.065
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: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1400.856186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.856186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.856186 (E_RNA)
where:
Base-Base interactions energy: -974.977
where: short stacking energy: -396.015
Base-Backbone interact. energy: 0.750
local terms energy: -426.629013
where:
bonds (distance) C4'-P energy: -80.055
bonds (distance) P-C4' energy: -76.361
flat angles C4'-P-C4' energy: -107.403
flat angles P-C4'-P energy: -69.881
tors. eta vs tors. theta energy: -92.928
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: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1308.639205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.639205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.639205 (E_RNA)
where:
Base-Base interactions energy: -893.020
where: short stacking energy: -383.308
Base-Backbone interact. energy: -1.229
local terms energy: -414.389230
where:
bonds (distance) C4'-P energy: -77.931
bonds (distance) P-C4' energy: -94.295
flat angles C4'-P-C4' energy: -97.367
flat angles P-C4'-P energy: -55.437
tors. eta vs tors. theta energy: -89.359
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: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1207.803867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.803867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.803867 (E_RNA)
where:
Base-Base interactions energy: -817.437
where: short stacking energy: -342.392
Base-Backbone interact. energy: -2.384
local terms energy: -387.982410
where:
bonds (distance) C4'-P energy: -85.532
bonds (distance) P-C4' energy: -95.507
flat angles C4'-P-C4' energy: -81.779
flat angles P-C4'-P energy: -59.163
tors. eta vs tors. theta energy: -66.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -958.083106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.083106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.083106 (E_RNA)
where:
Base-Base interactions energy: -623.916
where: short stacking energy: -307.889
Base-Backbone interact. energy: 0.467
local terms energy: -334.633469
where:
bonds (distance) C4'-P energy: -75.324
bonds (distance) P-C4' energy: -61.322
flat angles C4'-P-C4' energy: -90.107
flat angles P-C4'-P energy: -49.465
tors. eta vs tors. theta energy: -58.416
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: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -656.686601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.686601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.686601 (E_RNA)
where:
Base-Base interactions energy: -363.923
where: short stacking energy: -191.614
Base-Backbone interact. energy: -0.647
local terms energy: -292.117038
where:
bonds (distance) C4'-P energy: -77.603
bonds (distance) P-C4' energy: -90.731
flat angles C4'-P-C4' energy: -68.701
flat angles P-C4'-P energy: -43.935
tors. eta vs tors. theta energy: -11.147
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: 310
Temperature: 0.900000
Total energy: -1809.410839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.410839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.410839 (E_RNA)
where:
Base-Base interactions energy: -1269.285
where: short stacking energy: -517.417
Base-Backbone interact. energy: 1.113
local terms energy: -541.238651
where:
bonds (distance) C4'-P energy: -94.779
bonds (distance) P-C4' energy: -109.186
flat angles C4'-P-C4' energy: -117.011
flat angles P-C4'-P energy: -80.279
tors. eta vs tors. theta energy: -139.984
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: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1819.713625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.713625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.713625 (E_RNA)
where:
Base-Base interactions energy: -1324.797
where: short stacking energy: -524.194
Base-Backbone interact. energy: -3.064
local terms energy: -491.852187
where:
bonds (distance) C4'-P energy: -98.303
bonds (distance) P-C4' energy: -92.924
flat angles C4'-P-C4' energy: -103.348
flat angles P-C4'-P energy: -63.180
tors. eta vs tors. theta energy: -134.097
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: 310
Temperature: 1.000000
Total energy: -1727.239000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.239000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.239000 (E_RNA)
where:
Base-Base interactions energy: -1195.230
where: short stacking energy: -497.848
Base-Backbone interact. energy: -0.904
local terms energy: -531.104099
where:
bonds (distance) C4'-P energy: -87.740
bonds (distance) P-C4' energy: -106.056
flat angles C4'-P-C4' energy: -111.260
flat angles P-C4'-P energy: -79.794
tors. eta vs tors. theta energy: -146.253
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: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1623.648261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.648261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.648261 (E_RNA)
where:
Base-Base interactions energy: -1132.587
where: short stacking energy: -459.768
Base-Backbone interact. energy: -1.838
local terms energy: -489.223205
where:
bonds (distance) C4'-P energy: -87.142
bonds (distance) P-C4' energy: -93.468
flat angles C4'-P-C4' energy: -112.121
flat angles P-C4'-P energy: -63.648
tors. eta vs tors. theta energy: -132.845
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: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1574.286680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.286680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.286680 (E_RNA)
where:
Base-Base interactions energy: -1134.814
where: short stacking energy: -461.823
Base-Backbone interact. energy: -2.391
local terms energy: -437.081435
where:
bonds (distance) C4'-P energy: -68.715
bonds (distance) P-C4' energy: -77.821
flat angles C4'-P-C4' energy: -101.918
flat angles P-C4'-P energy: -71.460
tors. eta vs tors. theta energy: -117.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1359.710552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.710552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.710552 (E_RNA)
where:
Base-Base interactions energy: -927.427
where: short stacking energy: -369.204
Base-Backbone interact. energy: -0.352
local terms energy: -431.931387
where:
bonds (distance) C4'-P energy: -88.999
bonds (distance) P-C4' energy: -91.177
flat angles C4'-P-C4' energy: -86.067
flat angles P-C4'-P energy: -82.727
tors. eta vs tors. theta energy: -82.961
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: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1309.816165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.816165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.816165 (E_RNA)
where:
Base-Base interactions energy: -884.582
where: short stacking energy: -373.655
Base-Backbone interact. energy: -3.087
local terms energy: -422.147556
where:
bonds (distance) C4'-P energy: -84.797
bonds (distance) P-C4' energy: -75.205
flat angles C4'-P-C4' energy: -104.362
flat angles P-C4'-P energy: -63.101
tors. eta vs tors. theta energy: -94.682
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: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1180.030740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.030740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.030740 (E_RNA)
where:
Base-Base interactions energy: -807.043
where: short stacking energy: -337.577
Base-Backbone interact. energy: 0.104
local terms energy: -373.092253
where:
bonds (distance) C4'-P energy: -83.593
bonds (distance) P-C4' energy: -74.492
flat angles C4'-P-C4' energy: -89.357
flat angles P-C4'-P energy: -54.792
tors. eta vs tors. theta energy: -70.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -936.262026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.262026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.262026 (E_RNA)
where:
Base-Base interactions energy: -567.840
where: short stacking energy: -262.003
Base-Backbone interact. energy: -0.512
local terms energy: -367.909360
where:
bonds (distance) C4'-P energy: -79.614
bonds (distance) P-C4' energy: -83.385
flat angles C4'-P-C4' energy: -93.407
flat angles P-C4'-P energy: -63.836
tors. eta vs tors. theta energy: -47.666
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: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -655.018258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.018258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.018258 (E_RNA)
where:
Base-Base interactions energy: -351.096
where: short stacking energy: -202.610
Base-Backbone interact. energy: 1.083
local terms energy: -305.004721
where:
bonds (distance) C4'-P energy: -93.377
bonds (distance) P-C4' energy: -75.229
flat angles C4'-P-C4' energy: -82.763
flat angles P-C4'-P energy: -43.829
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1812.148042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.148042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.148042 (E_RNA)
where:
Base-Base interactions energy: -1281.224
where: short stacking energy: -505.089
Base-Backbone interact. energy: -0.649
local terms energy: -530.275453
where:
bonds (distance) C4'-P energy: -103.880
bonds (distance) P-C4' energy: -116.138
flat angles C4'-P-C4' energy: -101.637
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -132.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1820.717155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.717155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.717155 (E_RNA)
where:
Base-Base interactions energy: -1270.013
where: short stacking energy: -516.768
Base-Backbone interact. energy: -1.921
local terms energy: -548.783311
where:
bonds (distance) C4'-P energy: -107.180
bonds (distance) P-C4' energy: -110.186
flat angles C4'-P-C4' energy: -110.847
flat angles P-C4'-P energy: -79.332
tors. eta vs tors. theta energy: -141.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1706.369277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.369277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.369277 (E_RNA)
where:
Base-Base interactions energy: -1181.292
where: short stacking energy: -496.770
Base-Backbone interact. energy: -4.019
local terms energy: -521.059076
where:
bonds (distance) C4'-P energy: -95.036
bonds (distance) P-C4' energy: -103.023
flat angles C4'-P-C4' energy: -105.232
flat angles P-C4'-P energy: -71.662
tors. eta vs tors. theta energy: -146.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1626.005986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.005986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.005986 (E_RNA)
where:
Base-Base interactions energy: -1138.226
where: short stacking energy: -494.302
Base-Backbone interact. energy: -1.247
local terms energy: -486.532477
where:
bonds (distance) C4'-P energy: -78.270
bonds (distance) P-C4' energy: -97.426
flat angles C4'-P-C4' energy: -98.628
flat angles P-C4'-P energy: -79.349
tors. eta vs tors. theta energy: -132.859
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: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1573.680270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.680270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.680270 (E_RNA)
where:
Base-Base interactions energy: -1092.528
where: short stacking energy: -442.309
Base-Backbone interact. energy: 0.545
local terms energy: -481.697168
where:
bonds (distance) C4'-P energy: -90.003
bonds (distance) P-C4' energy: -104.737
flat angles C4'-P-C4' energy: -98.965
flat angles P-C4'-P energy: -63.562
tors. eta vs tors. theta energy: -124.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1421.701204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.701204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.701204 (E_RNA)
where:
Base-Base interactions energy: -984.020
where: short stacking energy: -385.440
Base-Backbone interact. energy: -2.527
local terms energy: -435.153703
where:
bonds (distance) C4'-P energy: -81.233
bonds (distance) P-C4' energy: -91.251
flat angles C4'-P-C4' energy: -103.272
flat angles P-C4'-P energy: -70.199
tors. eta vs tors. theta energy: -89.199
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: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1300.552600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.552600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.552600 (E_RNA)
where:
Base-Base interactions energy: -859.197
where: short stacking energy: -367.730
Base-Backbone interact. energy: -1.844
local terms energy: -439.511404
where:
bonds (distance) C4'-P energy: -88.939
bonds (distance) P-C4' energy: -91.330
flat angles C4'-P-C4' energy: -103.094
flat angles P-C4'-P energy: -68.982
tors. eta vs tors. theta energy: -87.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1248.809908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.809908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.809908 (E_RNA)
where:
Base-Base interactions energy: -866.315
where: short stacking energy: -364.943
Base-Backbone interact. energy: -1.006
local terms energy: -381.489343
where:
bonds (distance) C4'-P energy: -71.469
bonds (distance) P-C4' energy: -79.912
flat angles C4'-P-C4' energy: -90.831
flat angles P-C4'-P energy: -61.513
tors. eta vs tors. theta energy: -77.764
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -910.640996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.640996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.640996 (E_RNA)
where:
Base-Base interactions energy: -578.578
where: short stacking energy: -265.246
Base-Backbone interact. energy: -0.427
local terms energy: -331.636712
where:
bonds (distance) C4'-P energy: -71.244
bonds (distance) P-C4' energy: -91.006
flat angles C4'-P-C4' energy: -71.131
flat angles P-C4'-P energy: -55.458
tors. eta vs tors. theta energy: -42.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -643.909778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.909778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.909778 (E_RNA)
where:
Base-Base interactions energy: -353.112
where: short stacking energy: -166.953
Base-Backbone interact. energy: -0.924
local terms energy: -289.873583
where:
bonds (distance) C4'-P energy: -74.971
bonds (distance) P-C4' energy: -92.944
flat angles C4'-P-C4' energy: -76.787
flat angles P-C4'-P energy: -47.088
tors. eta vs tors. theta energy: 1.917
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: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1836.067408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.067408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.067408 (E_RNA)
where:
Base-Base interactions energy: -1279.715
where: short stacking energy: -529.198
Base-Backbone interact. energy: -3.092
local terms energy: -553.260492
where:
bonds (distance) C4'-P energy: -107.670
bonds (distance) P-C4' energy: -109.680
flat angles C4'-P-C4' energy: -126.731
flat angles P-C4'-P energy: -71.649
tors. eta vs tors. theta energy: -137.531
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: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1798.621124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.621124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.621124 (E_RNA)
where:
Base-Base interactions energy: -1274.602
where: short stacking energy: -510.227
Base-Backbone interact. energy: -0.753
local terms energy: -523.265915
where:
bonds (distance) C4'-P energy: -98.443
bonds (distance) P-C4' energy: -98.755
flat angles C4'-P-C4' energy: -116.409
flat angles P-C4'-P energy: -69.973
tors. eta vs tors. theta energy: -139.686
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: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1744.835431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.835431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.835431 (E_RNA)
where:
Base-Base interactions energy: -1235.041
where: short stacking energy: -533.607
Base-Backbone interact. energy: 3.342
local terms energy: -513.136833
where:
bonds (distance) C4'-P energy: -99.212
bonds (distance) P-C4' energy: -85.677
flat angles C4'-P-C4' energy: -107.851
flat angles P-C4'-P energy: -72.468
tors. eta vs tors. theta energy: -147.929
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: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1649.840494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.840494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.840494 (E_RNA)
where:
Base-Base interactions energy: -1152.659
where: short stacking energy: -455.930
Base-Backbone interact. energy: -1.236
local terms energy: -495.945397
where:
bonds (distance) C4'-P energy: -89.119
bonds (distance) P-C4' energy: -101.202
flat angles C4'-P-C4' energy: -116.879
flat angles P-C4'-P energy: -62.326
tors. eta vs tors. theta energy: -126.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1571.316407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.316407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.316407 (E_RNA)
where:
Base-Base interactions energy: -1112.567
where: short stacking energy: -454.205
Base-Backbone interact. energy: 1.585
local terms energy: -460.333973
where:
bonds (distance) C4'-P energy: -92.496
bonds (distance) P-C4' energy: -97.414
flat angles C4'-P-C4' energy: -108.862
flat angles P-C4'-P energy: -46.049
tors. eta vs tors. theta energy: -115.513
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: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1440.790853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.790853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.790853 (E_RNA)
where:
Base-Base interactions energy: -1015.654
where: short stacking energy: -406.542
Base-Backbone interact. energy: 0.979
local terms energy: -426.115470
where:
bonds (distance) C4'-P energy: -88.540
bonds (distance) P-C4' energy: -84.474
flat angles C4'-P-C4' energy: -103.445
flat angles P-C4'-P energy: -57.060
tors. eta vs tors. theta energy: -92.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1313.612886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.612886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.612886 (E_RNA)
where:
Base-Base interactions energy: -860.744
where: short stacking energy: -378.799
Base-Backbone interact. energy: 0.716
local terms energy: -453.585596
where:
bonds (distance) C4'-P energy: -89.449
bonds (distance) P-C4' energy: -102.859
flat angles C4'-P-C4' energy: -96.159
flat angles P-C4'-P energy: -73.960
tors. eta vs tors. theta energy: -91.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1219.431598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.431598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.431598 (E_RNA)
where:
Base-Base interactions energy: -850.305
where: short stacking energy: -351.007
Base-Backbone interact. energy: -2.527
local terms energy: -366.599025
where:
bonds (distance) C4'-P energy: -73.894
bonds (distance) P-C4' energy: -87.531
flat angles C4'-P-C4' energy: -82.770
flat angles P-C4'-P energy: -48.567
tors. eta vs tors. theta energy: -73.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -935.819160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.819160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.819160 (E_RNA)
where:
Base-Base interactions energy: -590.201
where: short stacking energy: -287.358
Base-Backbone interact. energy: 6.415
local terms energy: -352.033977
where:
bonds (distance) C4'-P energy: -82.000
bonds (distance) P-C4' energy: -85.586
flat angles C4'-P-C4' energy: -88.988
flat angles P-C4'-P energy: -45.624
tors. eta vs tors. theta energy: -49.835
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: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -647.583088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.583088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.583088 (E_RNA)
where:
Base-Base interactions energy: -370.524
where: short stacking energy: -194.280
Base-Backbone interact. energy: -0.566
local terms energy: -276.492866
where:
bonds (distance) C4'-P energy: -64.058
bonds (distance) P-C4' energy: -74.677
flat angles C4'-P-C4' energy: -84.235
flat angles P-C4'-P energy: -44.353
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1848.301722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.301722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.301722 (E_RNA)
where:
Base-Base interactions energy: -1297.272
where: short stacking energy: -553.602
Base-Backbone interact. energy: -3.625
local terms energy: -547.404806
where:
bonds (distance) C4'-P energy: -104.193
bonds (distance) P-C4' energy: -97.300
flat angles C4'-P-C4' energy: -124.732
flat angles P-C4'-P energy: -73.868
tors. eta vs tors. theta energy: -147.312
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: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1800.282220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.282220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.282220 (E_RNA)
where:
Base-Base interactions energy: -1257.243
where: short stacking energy: -509.120
Base-Backbone interact. energy: -1.850
local terms energy: -541.189075
where:
bonds (distance) C4'-P energy: -98.194
bonds (distance) P-C4' energy: -105.623
flat angles C4'-P-C4' energy: -119.894
flat angles P-C4'-P energy: -77.565
tors. eta vs tors. theta energy: -139.914
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: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1755.758843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.758843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.758843 (E_RNA)
where:
Base-Base interactions energy: -1235.825
where: short stacking energy: -478.921
Base-Backbone interact. energy: 0.831
local terms energy: -520.764736
where:
bonds (distance) C4'-P energy: -91.357
bonds (distance) P-C4' energy: -105.534
flat angles C4'-P-C4' energy: -113.134
flat angles P-C4'-P energy: -69.578
tors. eta vs tors. theta energy: -141.161
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: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1636.059338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.059338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.059338 (E_RNA)
where:
Base-Base interactions energy: -1124.712
where: short stacking energy: -479.029
Base-Backbone interact. energy: 2.399
local terms energy: -513.746835
where:
bonds (distance) C4'-P energy: -92.590
bonds (distance) P-C4' energy: -95.962
flat angles C4'-P-C4' energy: -116.272
flat angles P-C4'-P energy: -87.632
tors. eta vs tors. theta energy: -121.291
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: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1562.484414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.484414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.484414 (E_RNA)
where:
Base-Base interactions energy: -1087.122
where: short stacking energy: -437.562
Base-Backbone interact. energy: -1.602
local terms energy: -473.759742
where:
bonds (distance) C4'-P energy: -89.334
bonds (distance) P-C4' energy: -91.286
flat angles C4'-P-C4' energy: -108.816
flat angles P-C4'-P energy: -67.210
tors. eta vs tors. theta energy: -117.114
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: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1414.788154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.788154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.788154 (E_RNA)
where:
Base-Base interactions energy: -996.242
where: short stacking energy: -408.908
Base-Backbone interact. energy: 1.462
local terms energy: -420.008019
where:
bonds (distance) C4'-P energy: -74.238
bonds (distance) P-C4' energy: -99.128
flat angles C4'-P-C4' energy: -97.139
flat angles P-C4'-P energy: -65.040
tors. eta vs tors. theta energy: -84.464
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: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1350.082840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.082840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.082840 (E_RNA)
where:
Base-Base interactions energy: -935.475
where: short stacking energy: -382.134
Base-Backbone interact. energy: -1.035
local terms energy: -413.573236
where:
bonds (distance) C4'-P energy: -79.606
bonds (distance) P-C4' energy: -88.166
flat angles C4'-P-C4' energy: -94.759
flat angles P-C4'-P energy: -51.613
tors. eta vs tors. theta energy: -99.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1195.872941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.872941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.872941 (E_RNA)
where:
Base-Base interactions energy: -811.369
where: short stacking energy: -314.052
Base-Backbone interact. energy: -2.752
local terms energy: -381.751511
where:
bonds (distance) C4'-P energy: -68.234
bonds (distance) P-C4' energy: -84.163
flat angles C4'-P-C4' energy: -96.598
flat angles P-C4'-P energy: -58.701
tors. eta vs tors. theta energy: -74.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -907.537229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.537229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.537229 (E_RNA)
where:
Base-Base interactions energy: -572.010
where: short stacking energy: -254.137
Base-Backbone interact. energy: 3.944
local terms energy: -339.470613
where:
bonds (distance) C4'-P energy: -92.793
bonds (distance) P-C4' energy: -74.921
flat angles C4'-P-C4' energy: -69.209
flat angles P-C4'-P energy: -63.224
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: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -632.430706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.430706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.430706 (E_RNA)
where:
Base-Base interactions energy: -325.445
where: short stacking energy: -183.063
Base-Backbone interact. energy: -0.174
local terms energy: -306.812397
where:
bonds (distance) C4'-P energy: -93.582
bonds (distance) P-C4' energy: -82.538
flat angles C4'-P-C4' energy: -82.480
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1826.471412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.471412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.471412 (E_RNA)
where:
Base-Base interactions energy: -1275.232
where: short stacking energy: -499.596
Base-Backbone interact. energy: -3.325
local terms energy: -547.914563
where:
bonds (distance) C4'-P energy: -113.911
bonds (distance) P-C4' energy: -103.622
flat angles C4'-P-C4' energy: -102.477
flat angles P-C4'-P energy: -83.966
tors. eta vs tors. theta energy: -143.939
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: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1825.554160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.554160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.554160 (E_RNA)
where:
Base-Base interactions energy: -1291.236
where: short stacking energy: -515.532
Base-Backbone interact. energy: -0.482
local terms energy: -533.836624
where:
bonds (distance) C4'-P energy: -96.475
bonds (distance) P-C4' energy: -95.113
flat angles C4'-P-C4' energy: -117.494
flat angles P-C4'-P energy: -81.697
tors. eta vs tors. theta energy: -143.058
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: 314
Temperature: 1.000000
Total energy: -1705.363813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.363813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.363813 (E_RNA)
where:
Base-Base interactions energy: -1222.291
where: short stacking energy: -472.129
Base-Backbone interact. energy: -2.464
local terms energy: -480.608388
where:
bonds (distance) C4'-P energy: -93.676
bonds (distance) P-C4' energy: -91.929
flat angles C4'-P-C4' energy: -103.081
flat angles P-C4'-P energy: -72.020
tors. eta vs tors. theta energy: -119.902
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: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1643.769790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.769790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.769790 (E_RNA)
where:
Base-Base interactions energy: -1143.746
where: short stacking energy: -464.946
Base-Backbone interact. energy: -2.720
local terms energy: -497.303733
where:
bonds (distance) C4'-P energy: -92.587
bonds (distance) P-C4' energy: -103.755
flat angles C4'-P-C4' energy: -107.862
flat angles P-C4'-P energy: -58.889
tors. eta vs tors. theta energy: -134.210
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: 314
Temperature: 1.100000
Total energy: -1564.463927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.463927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.463927 (E_RNA)
where:
Base-Base interactions energy: -1075.101
where: short stacking energy: -434.864
Base-Backbone interact. energy: -3.459
local terms energy: -485.904575
where:
bonds (distance) C4'-P energy: -92.444
bonds (distance) P-C4' energy: -89.985
flat angles C4'-P-C4' energy: -109.975
flat angles P-C4'-P energy: -77.897
tors. eta vs tors. theta energy: -115.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1448.423897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.423897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.423897 (E_RNA)
where:
Base-Base interactions energy: -1011.483
where: short stacking energy: -391.581
Base-Backbone interact. energy: -3.430
local terms energy: -433.511111
where:
bonds (distance) C4'-P energy: -82.148
bonds (distance) P-C4' energy: -94.364
flat angles C4'-P-C4' energy: -96.436
flat angles P-C4'-P energy: -58.984
tors. eta vs tors. theta energy: -101.579
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: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1360.502929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.502929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.502929 (E_RNA)
where:
Base-Base interactions energy: -925.004
where: short stacking energy: -389.972
Base-Backbone interact. energy: -4.689
local terms energy: -430.809566
where:
bonds (distance) C4'-P energy: -92.791
bonds (distance) P-C4' energy: -87.473
flat angles C4'-P-C4' energy: -98.098
flat angles P-C4'-P energy: -57.129
tors. eta vs tors. theta energy: -95.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1272.239741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.239741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.239741 (E_RNA)
where:
Base-Base interactions energy: -839.289
where: short stacking energy: -340.526
Base-Backbone interact. energy: -1.011
local terms energy: -431.939828
where:
bonds (distance) C4'-P energy: -94.743
bonds (distance) P-C4' energy: -95.582
flat angles C4'-P-C4' energy: -99.298
flat angles P-C4'-P energy: -56.678
tors. eta vs tors. theta energy: -85.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -955.491870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.491870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.491870 (E_RNA)
where:
Base-Base interactions energy: -594.637
where: short stacking energy: -268.544
Base-Backbone interact. energy: -5.605
local terms energy: -355.249471
where:
bonds (distance) C4'-P energy: -88.360
bonds (distance) P-C4' energy: -87.617
flat angles C4'-P-C4' energy: -83.278
flat angles P-C4'-P energy: -49.542
tors. eta vs tors. theta energy: -46.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -737.456299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.456299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.456299 (E_RNA)
where:
Base-Base interactions energy: -448.069
where: short stacking energy: -215.392
Base-Backbone interact. energy: -2.518
local terms energy: -286.868578
where:
bonds (distance) C4'-P energy: -70.696
bonds (distance) P-C4' energy: -88.382
flat angles C4'-P-C4' energy: -75.025
flat angles P-C4'-P energy: -37.619
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1842.051133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.051133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.051133 (E_RNA)
where:
Base-Base interactions energy: -1278.345
where: short stacking energy: -523.262
Base-Backbone interact. energy: -0.596
local terms energy: -563.110433
where:
bonds (distance) C4'-P energy: -101.505
bonds (distance) P-C4' energy: -107.310
flat angles C4'-P-C4' energy: -123.089
flat angles P-C4'-P energy: -83.807
tors. eta vs tors. theta energy: -147.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1847.552623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.552623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.552623 (E_RNA)
where:
Base-Base interactions energy: -1321.509
where: short stacking energy: -521.740
Base-Backbone interact. energy: 0.606
local terms energy: -526.649350
where:
bonds (distance) C4'-P energy: -82.706
bonds (distance) P-C4' energy: -100.387
flat angles C4'-P-C4' energy: -106.672
flat angles P-C4'-P energy: -85.486
tors. eta vs tors. theta energy: -151.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1699.354053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.354053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.354053 (E_RNA)
where:
Base-Base interactions energy: -1192.331
where: short stacking energy: -462.502
Base-Backbone interact. energy: -0.433
local terms energy: -506.590376
where:
bonds (distance) C4'-P energy: -95.307
bonds (distance) P-C4' energy: -104.403
flat angles C4'-P-C4' energy: -105.823
flat angles P-C4'-P energy: -72.428
tors. eta vs tors. theta energy: -128.630
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: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1583.377053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.377053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.377053 (E_RNA)
where:
Base-Base interactions energy: -1121.243
where: short stacking energy: -462.134
Base-Backbone interact. energy: -0.443
local terms energy: -461.690945
where:
bonds (distance) C4'-P energy: -75.382
bonds (distance) P-C4' energy: -89.449
flat angles C4'-P-C4' energy: -100.638
flat angles P-C4'-P energy: -74.311
tors. eta vs tors. theta energy: -121.911
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: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1581.943345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.943345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.943345 (E_RNA)
where:
Base-Base interactions energy: -1095.138
where: short stacking energy: -452.727
Base-Backbone interact. energy: -2.944
local terms energy: -483.861199
where:
bonds (distance) C4'-P energy: -84.818
bonds (distance) P-C4' energy: -97.973
flat angles C4'-P-C4' energy: -107.696
flat angles P-C4'-P energy: -68.731
tors. eta vs tors. theta energy: -124.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1437.414290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.414290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.414290 (E_RNA)
where:
Base-Base interactions energy: -989.987
where: short stacking energy: -400.653
Base-Backbone interact. energy: -5.159
local terms energy: -442.269170
where:
bonds (distance) C4'-P energy: -88.395
bonds (distance) P-C4' energy: -86.189
flat angles C4'-P-C4' energy: -103.326
flat angles P-C4'-P energy: -72.482
tors. eta vs tors. theta energy: -91.878
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: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1321.775283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.775283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.775283 (E_RNA)
where:
Base-Base interactions energy: -892.655
where: short stacking energy: -378.496
Base-Backbone interact. energy: -0.645
local terms energy: -428.475477
where:
bonds (distance) C4'-P energy: -81.153
bonds (distance) P-C4' energy: -93.177
flat angles C4'-P-C4' energy: -91.709
flat angles P-C4'-P energy: -70.583
tors. eta vs tors. theta energy: -91.853
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: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1302.597100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.597100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.597100 (E_RNA)
where:
Base-Base interactions energy: -891.946
where: short stacking energy: -377.642
Base-Backbone interact. energy: -1.822
local terms energy: -408.828705
where:
bonds (distance) C4'-P energy: -84.642
bonds (distance) P-C4' energy: -80.082
flat angles C4'-P-C4' energy: -91.929
flat angles P-C4'-P energy: -53.385
tors. eta vs tors. theta energy: -98.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -951.758617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.758617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.758617 (E_RNA)
where:
Base-Base interactions energy: -615.360
where: short stacking energy: -271.629
Base-Backbone interact. energy: 0.592
local terms energy: -336.990492
where:
bonds (distance) C4'-P energy: -74.012
bonds (distance) P-C4' energy: -86.706
flat angles C4'-P-C4' energy: -75.339
flat angles P-C4'-P energy: -52.626
tors. eta vs tors. theta energy: -48.307
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: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -710.543608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.543608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.543608 (E_RNA)
where:
Base-Base interactions energy: -407.670
where: short stacking energy: -192.511
Base-Backbone interact. energy: -0.855
local terms energy: -302.018791
where:
bonds (distance) C4'-P energy: -74.499
bonds (distance) P-C4' energy: -75.934
flat angles C4'-P-C4' energy: -71.279
flat angles P-C4'-P energy: -57.548
tors. eta vs tors. theta energy: -22.759
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: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1869.247354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.247354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.247354 (E_RNA)
where:
Base-Base interactions energy: -1290.540
where: short stacking energy: -537.906
Base-Backbone interact. energy: -2.737
local terms energy: -575.970649
where:
bonds (distance) C4'-P energy: -101.501
bonds (distance) P-C4' energy: -113.780
flat angles C4'-P-C4' energy: -118.110
flat angles P-C4'-P energy: -87.697
tors. eta vs tors. theta energy: -154.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1830.153236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.153236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.153236 (E_RNA)
where:
Base-Base interactions energy: -1293.275
where: short stacking energy: -521.940
Base-Backbone interact. energy: -1.113
local terms energy: -535.764633
where:
bonds (distance) C4'-P energy: -98.782
bonds (distance) P-C4' energy: -95.148
flat angles C4'-P-C4' energy: -111.611
flat angles P-C4'-P energy: -81.503
tors. eta vs tors. theta energy: -148.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1771.874962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.874962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.874962 (E_RNA)
where:
Base-Base interactions energy: -1236.163
where: short stacking energy: -476.793
Base-Backbone interact. energy: -2.209
local terms energy: -533.503548
where:
bonds (distance) C4'-P energy: -99.215
bonds (distance) P-C4' energy: -105.664
flat angles C4'-P-C4' energy: -120.692
flat angles P-C4'-P energy: -72.588
tors. eta vs tors. theta energy: -135.345
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: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1595.042326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.042326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.042326 (E_RNA)
where:
Base-Base interactions energy: -1145.043
where: short stacking energy: -445.275
Base-Backbone interact. energy: -4.193
local terms energy: -445.806292
where:
bonds (distance) C4'-P energy: -91.451
bonds (distance) P-C4' energy: -82.949
flat angles C4'-P-C4' energy: -100.865
flat angles P-C4'-P energy: -62.420
tors. eta vs tors. theta energy: -108.120
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: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1571.306810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.306810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.306810 (E_RNA)
where:
Base-Base interactions energy: -1086.171
where: short stacking energy: -433.996
Base-Backbone interact. energy: -3.353
local terms energy: -481.782526
where:
bonds (distance) C4'-P energy: -91.183
bonds (distance) P-C4' energy: -96.955
flat angles C4'-P-C4' energy: -99.185
flat angles P-C4'-P energy: -64.284
tors. eta vs tors. theta energy: -130.176
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: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1420.977283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.977283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.977283 (E_RNA)
where:
Base-Base interactions energy: -1013.009
where: short stacking energy: -412.519
Base-Backbone interact. energy: -1.096
local terms energy: -406.872512
where:
bonds (distance) C4'-P energy: -66.848
bonds (distance) P-C4' energy: -85.966
flat angles C4'-P-C4' energy: -91.429
flat angles P-C4'-P energy: -62.814
tors. eta vs tors. theta energy: -99.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1307.283384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.283384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.283384 (E_RNA)
where:
Base-Base interactions energy: -888.650
where: short stacking energy: -402.110
Base-Backbone interact. energy: -3.142
local terms energy: -415.491207
where:
bonds (distance) C4'-P energy: -85.110
bonds (distance) P-C4' energy: -73.469
flat angles C4'-P-C4' energy: -95.669
flat angles P-C4'-P energy: -70.190
tors. eta vs tors. theta energy: -91.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1252.683312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.683312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.683312 (E_RNA)
where:
Base-Base interactions energy: -823.362
where: short stacking energy: -348.163
Base-Backbone interact. energy: 3.924
local terms energy: -433.245669
where:
bonds (distance) C4'-P energy: -79.685
bonds (distance) P-C4' energy: -99.932
flat angles C4'-P-C4' energy: -94.191
flat angles P-C4'-P energy: -74.098
tors. eta vs tors. theta energy: -85.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -908.382253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.382253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.382253 (E_RNA)
where:
Base-Base interactions energy: -558.821
where: short stacking energy: -262.007
Base-Backbone interact. energy: -0.971
local terms energy: -348.590124
where:
bonds (distance) C4'-P energy: -89.275
bonds (distance) P-C4' energy: -81.122
flat angles C4'-P-C4' energy: -76.067
flat angles P-C4'-P energy: -54.067
tors. eta vs tors. theta energy: -48.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -712.572243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.572243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.572243 (E_RNA)
where:
Base-Base interactions energy: -452.819
where: short stacking energy: -198.463
Base-Backbone interact. energy: 3.040
local terms energy: -262.793197
where:
bonds (distance) C4'-P energy: -86.978
bonds (distance) P-C4' energy: -80.882
flat angles C4'-P-C4' energy: -64.829
flat angles P-C4'-P energy: -32.848
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: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1858.460134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.460134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.460134 (E_RNA)
where:
Base-Base interactions energy: -1288.079
where: short stacking energy: -530.082
Base-Backbone interact. energy: -2.249
local terms energy: -568.131963
where:
bonds (distance) C4'-P energy: -102.622
bonds (distance) P-C4' energy: -114.418
flat angles C4'-P-C4' energy: -112.083
flat angles P-C4'-P energy: -81.823
tors. eta vs tors. theta energy: -157.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1753.202188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.202188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.202188 (E_RNA)
where:
Base-Base interactions energy: -1244.453
where: short stacking energy: -461.708
Base-Backbone interact. energy: -1.582
local terms energy: -507.166506
where:
bonds (distance) C4'-P energy: -89.603
bonds (distance) P-C4' energy: -104.728
flat angles C4'-P-C4' energy: -119.782
flat angles P-C4'-P energy: -76.668
tors. eta vs tors. theta energy: -116.386
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: 3, replica: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1758.787095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.787095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.787095 (E_RNA)
where:
Base-Base interactions energy: -1235.325
where: short stacking energy: -504.635
Base-Backbone interact. energy: -1.979
local terms energy: -521.483107
where:
bonds (distance) C4'-P energy: -89.971
bonds (distance) P-C4' energy: -102.032
flat angles C4'-P-C4' energy: -108.396
flat angles P-C4'-P energy: -76.866
tors. eta vs tors. theta energy: -144.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1602.468970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.468970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.468970 (E_RNA)
where:
Base-Base interactions energy: -1121.435
where: short stacking energy: -449.052
Base-Backbone interact. energy: -1.715
local terms energy: -479.319366
where:
bonds (distance) C4'-P energy: -88.161
bonds (distance) P-C4' energy: -93.455
flat angles C4'-P-C4' energy: -107.558
flat angles P-C4'-P energy: -59.074
tors. eta vs tors. theta energy: -131.071
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: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1540.715293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.715293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.715293 (E_RNA)
where:
Base-Base interactions energy: -1087.058
where: short stacking energy: -436.329
Base-Backbone interact. energy: -1.395
local terms energy: -452.261612
where:
bonds (distance) C4'-P energy: -89.267
bonds (distance) P-C4' energy: -86.451
flat angles C4'-P-C4' energy: -89.340
flat angles P-C4'-P energy: -63.660
tors. eta vs tors. theta energy: -123.543
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: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1442.317361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.317361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.317361 (E_RNA)
where:
Base-Base interactions energy: -983.608
where: short stacking energy: -398.741
Base-Backbone interact. energy: -0.786
local terms energy: -457.923764
where:
bonds (distance) C4'-P energy: -76.238
bonds (distance) P-C4' energy: -92.640
flat angles C4'-P-C4' energy: -111.459
flat angles P-C4'-P energy: -67.800
tors. eta vs tors. theta energy: -109.788
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: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1302.315227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.315227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.315227 (E_RNA)
where:
Base-Base interactions energy: -896.946
where: short stacking energy: -384.818
Base-Backbone interact. energy: -2.833
local terms energy: -402.536342
where:
bonds (distance) C4'-P energy: -72.887
bonds (distance) P-C4' energy: -78.703
flat angles C4'-P-C4' energy: -93.834
flat angles P-C4'-P energy: -64.851
tors. eta vs tors. theta energy: -92.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1232.269152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.269152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.269152 (E_RNA)
where:
Base-Base interactions energy: -829.812
where: short stacking energy: -345.136
Base-Backbone interact. energy: -4.588
local terms energy: -397.869024
where:
bonds (distance) C4'-P energy: -75.294
bonds (distance) P-C4' energy: -87.092
flat angles C4'-P-C4' energy: -100.872
flat angles P-C4'-P energy: -60.869
tors. eta vs tors. theta energy: -73.742
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: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -884.624469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.624469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.624469 (E_RNA)
where:
Base-Base interactions energy: -563.900
where: short stacking energy: -234.661
Base-Backbone interact. energy: -2.324
local terms energy: -318.400061
where:
bonds (distance) C4'-P energy: -86.560
bonds (distance) P-C4' energy: -79.145
flat angles C4'-P-C4' energy: -68.962
flat angles P-C4'-P energy: -55.167
tors. eta vs tors. theta energy: -28.566
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: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -674.154350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.154350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.154350 (E_RNA)
where:
Base-Base interactions energy: -409.810
where: short stacking energy: -194.692
Base-Backbone interact. energy: 4.915
local terms energy: -269.259107
where:
bonds (distance) C4'-P energy: -82.002
bonds (distance) P-C4' energy: -79.825
flat angles C4'-P-C4' energy: -72.190
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -8.481
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: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1874.138059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.138059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.138059 (E_RNA)
where:
Base-Base interactions energy: -1321.171
where: short stacking energy: -538.164
Base-Backbone interact. energy: -1.659
local terms energy: -551.308251
where:
bonds (distance) C4'-P energy: -95.420
bonds (distance) P-C4' energy: -97.333
flat angles C4'-P-C4' energy: -126.112
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -153.611
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: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1781.570989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.570989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.570989 (E_RNA)
where:
Base-Base interactions energy: -1251.251
where: short stacking energy: -490.666
Base-Backbone interact. energy: -4.377
local terms energy: -525.942140
where:
bonds (distance) C4'-P energy: -108.038
bonds (distance) P-C4' energy: -104.444
flat angles C4'-P-C4' energy: -107.489
flat angles P-C4'-P energy: -75.708
tors. eta vs tors. theta energy: -130.263
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: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1728.507722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.507722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.507722 (E_RNA)
where:
Base-Base interactions energy: -1223.512
where: short stacking energy: -499.162
Base-Backbone interact. energy: -2.927
local terms energy: -502.068957
where:
bonds (distance) C4'-P energy: -89.381
bonds (distance) P-C4' energy: -94.864
flat angles C4'-P-C4' energy: -113.623
flat angles P-C4'-P energy: -65.298
tors. eta vs tors. theta energy: -138.902
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: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1600.629914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.629914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.629914 (E_RNA)
where:
Base-Base interactions energy: -1120.191
where: short stacking energy: -470.635
Base-Backbone interact. energy: 2.436
local terms energy: -482.875366
where:
bonds (distance) C4'-P energy: -97.033
bonds (distance) P-C4' energy: -85.359
flat angles C4'-P-C4' energy: -113.231
flat angles P-C4'-P energy: -61.994
tors. eta vs tors. theta energy: -125.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1585.673744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.673744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.673744 (E_RNA)
where:
Base-Base interactions energy: -1101.861
where: short stacking energy: -467.228
Base-Backbone interact. energy: 0.369
local terms energy: -484.181720
where:
bonds (distance) C4'-P energy: -103.456
bonds (distance) P-C4' energy: -86.445
flat angles C4'-P-C4' energy: -95.955
flat angles P-C4'-P energy: -70.342
tors. eta vs tors. theta energy: -127.984
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: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1499.771649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.771649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.771649 (E_RNA)
where:
Base-Base interactions energy: -1053.831
where: short stacking energy: -438.134
Base-Backbone interact. energy: 0.704
local terms energy: -446.645387
where:
bonds (distance) C4'-P energy: -94.953
bonds (distance) P-C4' energy: -89.323
flat angles C4'-P-C4' energy: -95.070
flat angles P-C4'-P energy: -57.799
tors. eta vs tors. theta energy: -109.500
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: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1298.917273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.917273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.917273 (E_RNA)
where:
Base-Base interactions energy: -892.623
where: short stacking energy: -369.779
Base-Backbone interact. energy: -1.856
local terms energy: -404.438409
where:
bonds (distance) C4'-P energy: -73.588
bonds (distance) P-C4' energy: -90.755
flat angles C4'-P-C4' energy: -93.059
flat angles P-C4'-P energy: -61.523
tors. eta vs tors. theta energy: -85.515
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: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1276.998067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.998067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.998067 (E_RNA)
where:
Base-Base interactions energy: -869.840
where: short stacking energy: -362.818
Base-Backbone interact. energy: -1.835
local terms energy: -405.323331
where:
bonds (distance) C4'-P energy: -79.675
bonds (distance) P-C4' energy: -72.913
flat angles C4'-P-C4' energy: -100.316
flat angles P-C4'-P energy: -65.324
tors. eta vs tors. theta energy: -87.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -895.504830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.504830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.504830 (E_RNA)
where:
Base-Base interactions energy: -582.025
where: short stacking energy: -280.300
Base-Backbone interact. energy: 1.105
local terms energy: -314.584954
where:
bonds (distance) C4'-P energy: -67.520
bonds (distance) P-C4' energy: -61.678
flat angles C4'-P-C4' energy: -84.392
flat angles P-C4'-P energy: -49.927
tors. eta vs tors. theta energy: -51.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -660.474909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.474909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.474909 (E_RNA)
where:
Base-Base interactions energy: -367.980
where: short stacking energy: -201.931
Base-Backbone interact. energy: -1.824
local terms energy: -290.670338
where:
bonds (distance) C4'-P energy: -62.514
bonds (distance) P-C4' energy: -88.418
flat angles C4'-P-C4' energy: -84.413
flat angles P-C4'-P energy: -42.245
tors. eta vs tors. theta energy: -13.079
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: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1855.694716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.694716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.694716 (E_RNA)
where:
Base-Base interactions energy: -1309.393
where: short stacking energy: -543.180
Base-Backbone interact. energy: -0.769
local terms energy: -545.532164
where:
bonds (distance) C4'-P energy: -99.487
bonds (distance) P-C4' energy: -104.202
flat angles C4'-P-C4' energy: -123.603
flat angles P-C4'-P energy: -61.948
tors. eta vs tors. theta energy: -156.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1785.572868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.572868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.572868 (E_RNA)
where:
Base-Base interactions energy: -1254.743
where: short stacking energy: -501.751
Base-Backbone interact. energy: -2.432
local terms energy: -528.398663
where:
bonds (distance) C4'-P energy: -103.786
bonds (distance) P-C4' energy: -98.137
flat angles C4'-P-C4' energy: -111.881
flat angles P-C4'-P energy: -73.541
tors. eta vs tors. theta energy: -141.053
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: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1750.974533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.974533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.974533 (E_RNA)
where:
Base-Base interactions energy: -1248.105
where: short stacking energy: -500.566
Base-Backbone interact. energy: 1.534
local terms energy: -504.403724
where:
bonds (distance) C4'-P energy: -88.801
bonds (distance) P-C4' energy: -99.491
flat angles C4'-P-C4' energy: -104.087
flat angles P-C4'-P energy: -73.454
tors. eta vs tors. theta energy: -138.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1583.738692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.738692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.738692 (E_RNA)
where:
Base-Base interactions energy: -1112.588
where: short stacking energy: -456.026
Base-Backbone interact. energy: -3.531
local terms energy: -467.619938
where:
bonds (distance) C4'-P energy: -95.376
bonds (distance) P-C4' energy: -90.413
flat angles C4'-P-C4' energy: -98.399
flat angles P-C4'-P energy: -71.596
tors. eta vs tors. theta energy: -111.836
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: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1545.358801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.358801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.358801 (E_RNA)
where:
Base-Base interactions energy: -1062.430
where: short stacking energy: -432.409
Base-Backbone interact. energy: 1.413
local terms energy: -484.341821
where:
bonds (distance) C4'-P energy: -83.202
bonds (distance) P-C4' energy: -101.721
flat angles C4'-P-C4' energy: -112.818
flat angles P-C4'-P energy: -61.783
tors. eta vs tors. theta energy: -124.817
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: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1517.703540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.703540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.703540 (E_RNA)
where:
Base-Base interactions energy: -1067.226
where: short stacking energy: -432.297
Base-Backbone interact. energy: 1.777
local terms energy: -452.254197
where:
bonds (distance) C4'-P energy: -88.541
bonds (distance) P-C4' energy: -87.946
flat angles C4'-P-C4' energy: -101.643
flat angles P-C4'-P energy: -65.986
tors. eta vs tors. theta energy: -108.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1384.635071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.635071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.635071 (E_RNA)
where:
Base-Base interactions energy: -945.029
where: short stacking energy: -402.817
Base-Backbone interact. energy: -3.942
local terms energy: -435.663692
where:
bonds (distance) C4'-P energy: -82.082
bonds (distance) P-C4' energy: -88.722
flat angles C4'-P-C4' energy: -91.570
flat angles P-C4'-P energy: -65.783
tors. eta vs tors. theta energy: -107.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1296.280241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.280241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.280241 (E_RNA)
where:
Base-Base interactions energy: -901.692
where: short stacking energy: -356.605
Base-Backbone interact. energy: 8.220
local terms energy: -402.808255
where:
bonds (distance) C4'-P energy: -60.541
bonds (distance) P-C4' energy: -89.070
flat angles C4'-P-C4' energy: -99.654
flat angles P-C4'-P energy: -62.665
tors. eta vs tors. theta energy: -90.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -902.024530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.024530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.024530 (E_RNA)
where:
Base-Base interactions energy: -546.715
where: short stacking energy: -251.257
Base-Backbone interact. energy: -0.996
local terms energy: -354.313387
where:
bonds (distance) C4'-P energy: -91.746
bonds (distance) P-C4' energy: -89.168
flat angles C4'-P-C4' energy: -85.625
flat angles P-C4'-P energy: -44.896
tors. eta vs tors. theta energy: -42.877
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: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -638.575732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.575732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.575732 (E_RNA)
where:
Base-Base interactions energy: -330.201
where: short stacking energy: -192.752
Base-Backbone interact. energy: 1.341
local terms energy: -309.715690
where:
bonds (distance) C4'-P energy: -71.472
bonds (distance) P-C4' energy: -89.483
flat angles C4'-P-C4' energy: -83.465
flat angles P-C4'-P energy: -55.881
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1841.594186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.594186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.594186 (E_RNA)
where:
Base-Base interactions energy: -1301.903
where: short stacking energy: -527.941
Base-Backbone interact. energy: 1.442
local terms energy: -541.133293
where:
bonds (distance) C4'-P energy: -105.389
bonds (distance) P-C4' energy: -97.553
flat angles C4'-P-C4' energy: -110.871
flat angles P-C4'-P energy: -82.112
tors. eta vs tors. theta energy: -145.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1810.962678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.962678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.962678 (E_RNA)
where:
Base-Base interactions energy: -1272.597
where: short stacking energy: -484.116
Base-Backbone interact. energy: -3.219
local terms energy: -535.147063
where:
bonds (distance) C4'-P energy: -95.028
bonds (distance) P-C4' energy: -92.659
flat angles C4'-P-C4' energy: -120.032
flat angles P-C4'-P energy: -83.274
tors. eta vs tors. theta energy: -144.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1757.354024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.354024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.354024 (E_RNA)
where:
Base-Base interactions energy: -1233.119
where: short stacking energy: -499.859
Base-Backbone interact. energy: -3.154
local terms energy: -521.081002
where:
bonds (distance) C4'-P energy: -91.987
bonds (distance) P-C4' energy: -101.467
flat angles C4'-P-C4' energy: -112.657
flat angles P-C4'-P energy: -77.996
tors. eta vs tors. theta energy: -136.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1593.124993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.124993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.124993 (E_RNA)
where:
Base-Base interactions energy: -1117.902
where: short stacking energy: -467.263
Base-Backbone interact. energy: -6.424
local terms energy: -468.798556
where:
bonds (distance) C4'-P energy: -93.331
bonds (distance) P-C4' energy: -97.089
flat angles C4'-P-C4' energy: -93.623
flat angles P-C4'-P energy: -70.469
tors. eta vs tors. theta energy: -114.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1607.319490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.319490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.319490 (E_RNA)
where:
Base-Base interactions energy: -1120.284
where: short stacking energy: -466.401
Base-Backbone interact. energy: -1.885
local terms energy: -485.149938
where:
bonds (distance) C4'-P energy: -94.523
bonds (distance) P-C4' energy: -87.806
flat angles C4'-P-C4' energy: -100.609
flat angles P-C4'-P energy: -73.403
tors. eta vs tors. theta energy: -128.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1474.295425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.295425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.295425 (E_RNA)
where:
Base-Base interactions energy: -1011.416
where: short stacking energy: -433.250
Base-Backbone interact. energy: -1.583
local terms energy: -461.295714
where:
bonds (distance) C4'-P energy: -102.431
bonds (distance) P-C4' energy: -93.658
flat angles C4'-P-C4' energy: -88.465
flat angles P-C4'-P energy: -61.317
tors. eta vs tors. theta energy: -115.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1371.982851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.982851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.982851 (E_RNA)
where:
Base-Base interactions energy: -949.176
where: short stacking energy: -418.240
Base-Backbone interact. energy: -2.376
local terms energy: -420.430799
where:
bonds (distance) C4'-P energy: -68.127
bonds (distance) P-C4' energy: -85.030
flat angles C4'-P-C4' energy: -88.355
flat angles P-C4'-P energy: -71.878
tors. eta vs tors. theta energy: -107.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1274.296114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.296114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.296114 (E_RNA)
where:
Base-Base interactions energy: -867.989
where: short stacking energy: -339.646
Base-Backbone interact. energy: 2.044
local terms energy: -408.351440
where:
bonds (distance) C4'-P energy: -81.206
bonds (distance) P-C4' energy: -98.815
flat angles C4'-P-C4' energy: -97.385
flat angles P-C4'-P energy: -57.084
tors. eta vs tors. theta energy: -73.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -949.581538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.581538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.581538 (E_RNA)
where:
Base-Base interactions energy: -588.241
where: short stacking energy: -263.915
Base-Backbone interact. energy: -1.184
local terms energy: -360.156556
where:
bonds (distance) C4'-P energy: -74.245
bonds (distance) P-C4' energy: -95.370
flat angles C4'-P-C4' energy: -92.030
flat angles P-C4'-P energy: -47.281
tors. eta vs tors. theta energy: -51.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -634.378698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.378698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.378698 (E_RNA)
where:
Base-Base interactions energy: -357.808
where: short stacking energy: -181.378
Base-Backbone interact. energy: 1.323
local terms energy: -277.894013
where:
bonds (distance) C4'-P energy: -70.218
bonds (distance) P-C4' energy: -80.553
flat angles C4'-P-C4' energy: -77.833
flat angles P-C4'-P energy: -40.065
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1859.143692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.143692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.143692 (E_RNA)
where:
Base-Base interactions energy: -1320.111
where: short stacking energy: -532.538
Base-Backbone interact. energy: 0.503
local terms energy: -539.535906
where:
bonds (distance) C4'-P energy: -93.385
bonds (distance) P-C4' energy: -111.200
flat angles C4'-P-C4' energy: -114.267
flat angles P-C4'-P energy: -75.750
tors. eta vs tors. theta energy: -144.934
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: 321
Temperature: 0.950000
Total energy: -1788.224730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.224730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.224730 (E_RNA)
where:
Base-Base interactions energy: -1276.765
where: short stacking energy: -507.281
Base-Backbone interact. energy: -3.269
local terms energy: -508.191301
where:
bonds (distance) C4'-P energy: -92.221
bonds (distance) P-C4' energy: -99.811
flat angles C4'-P-C4' energy: -99.072
flat angles P-C4'-P energy: -83.691
tors. eta vs tors. theta energy: -133.395
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: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1748.622759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.622759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.622759 (E_RNA)
where:
Base-Base interactions energy: -1221.583
where: short stacking energy: -468.656
Base-Backbone interact. energy: -3.300
local terms energy: -523.738947
where:
bonds (distance) C4'-P energy: -94.834
bonds (distance) P-C4' energy: -108.306
flat angles C4'-P-C4' energy: -113.701
flat angles P-C4'-P energy: -78.211
tors. eta vs tors. theta energy: -128.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1607.434563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.434563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.434563 (E_RNA)
where:
Base-Base interactions energy: -1142.573
where: short stacking energy: -479.601
Base-Backbone interact. energy: -2.681
local terms energy: -462.179909
where:
bonds (distance) C4'-P energy: -96.427
bonds (distance) P-C4' energy: -95.854
flat angles C4'-P-C4' energy: -96.141
flat angles P-C4'-P energy: -48.324
tors. eta vs tors. theta energy: -125.435
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: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1605.054301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.054301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.054301 (E_RNA)
where:
Base-Base interactions energy: -1109.073
where: short stacking energy: -462.876
Base-Backbone interact. energy: -1.206
local terms energy: -494.775534
where:
bonds (distance) C4'-P energy: -97.276
bonds (distance) P-C4' energy: -106.721
flat angles C4'-P-C4' energy: -93.294
flat angles P-C4'-P energy: -77.060
tors. eta vs tors. theta energy: -120.424
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: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1455.076426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.076426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.076426 (E_RNA)
where:
Base-Base interactions energy: -1012.213
where: short stacking energy: -432.059
Base-Backbone interact. energy: 1.466
local terms energy: -444.329377
where:
bonds (distance) C4'-P energy: -85.242
bonds (distance) P-C4' energy: -90.067
flat angles C4'-P-C4' energy: -97.817
flat angles P-C4'-P energy: -64.392
tors. eta vs tors. theta energy: -106.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1399.784022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.784022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.784022 (E_RNA)
where:
Base-Base interactions energy: -980.109
where: short stacking energy: -399.706
Base-Backbone interact. energy: -0.627
local terms energy: -419.048727
where:
bonds (distance) C4'-P energy: -83.534
bonds (distance) P-C4' energy: -92.504
flat angles C4'-P-C4' energy: -99.609
flat angles P-C4'-P energy: -58.433
tors. eta vs tors. theta energy: -84.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1245.637754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.637754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.637754 (E_RNA)
where:
Base-Base interactions energy: -853.451
where: short stacking energy: -376.528
Base-Backbone interact. energy: -2.638
local terms energy: -389.549082
where:
bonds (distance) C4'-P energy: -80.218
bonds (distance) P-C4' energy: -76.141
flat angles C4'-P-C4' energy: -110.077
flat angles P-C4'-P energy: -36.921
tors. eta vs tors. theta energy: -86.191
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: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -915.713321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.713321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.713321 (E_RNA)
where:
Base-Base interactions energy: -563.681
where: short stacking energy: -247.900
Base-Backbone interact. energy: 2.508
local terms energy: -354.540896
where:
bonds (distance) C4'-P energy: -106.052
bonds (distance) P-C4' energy: -80.401
flat angles C4'-P-C4' energy: -85.855
flat angles P-C4'-P energy: -37.851
tors. eta vs tors. theta energy: -44.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -661.383225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.383225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.383225 (E_RNA)
where:
Base-Base interactions energy: -379.397
where: short stacking energy: -179.869
Base-Backbone interact. energy: -0.036
local terms energy: -281.950571
where:
bonds (distance) C4'-P energy: -82.203
bonds (distance) P-C4' energy: -92.293
flat angles C4'-P-C4' energy: -60.763
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1861.541133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.541133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.541133 (E_RNA)
where:
Base-Base interactions energy: -1322.595
where: short stacking energy: -528.331
Base-Backbone interact. energy: -1.916
local terms energy: -537.029258
where:
bonds (distance) C4'-P energy: -102.001
bonds (distance) P-C4' energy: -95.355
flat angles C4'-P-C4' energy: -111.482
flat angles P-C4'-P energy: -90.253
tors. eta vs tors. theta energy: -137.937
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: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1795.812061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.812061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.812061 (E_RNA)
where:
Base-Base interactions energy: -1289.223
where: short stacking energy: -502.903
Base-Backbone interact. energy: -4.765
local terms energy: -501.824526
where:
bonds (distance) C4'-P energy: -82.817
bonds (distance) P-C4' energy: -93.989
flat angles C4'-P-C4' energy: -112.196
flat angles P-C4'-P energy: -67.603
tors. eta vs tors. theta energy: -145.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1740.656507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.656507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.656507 (E_RNA)
where:
Base-Base interactions energy: -1227.708
where: short stacking energy: -480.263
Base-Backbone interact. energy: -1.080
local terms energy: -511.868444
where:
bonds (distance) C4'-P energy: -111.407
bonds (distance) P-C4' energy: -91.206
flat angles C4'-P-C4' energy: -103.149
flat angles P-C4'-P energy: -76.572
tors. eta vs tors. theta energy: -129.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1586.093159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.093159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.093159 (E_RNA)
where:
Base-Base interactions energy: -1099.580
where: short stacking energy: -471.763
Base-Backbone interact. energy: -3.577
local terms energy: -482.936554
where:
bonds (distance) C4'-P energy: -78.148
bonds (distance) P-C4' energy: -108.133
flat angles C4'-P-C4' energy: -108.774
flat angles P-C4'-P energy: -64.511
tors. eta vs tors. theta energy: -123.370
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: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1555.708095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.708095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.708095 (E_RNA)
where:
Base-Base interactions energy: -1085.348
where: short stacking energy: -463.792
Base-Backbone interact. energy: -0.542
local terms energy: -469.818480
where:
bonds (distance) C4'-P energy: -86.658
bonds (distance) P-C4' energy: -91.282
flat angles C4'-P-C4' energy: -104.817
flat angles P-C4'-P energy: -66.129
tors. eta vs tors. theta energy: -120.932
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: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1459.964556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.964556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.964556 (E_RNA)
where:
Base-Base interactions energy: -1028.931
where: short stacking energy: -433.815
Base-Backbone interact. energy: -1.586
local terms energy: -429.447671
where:
bonds (distance) C4'-P energy: -73.561
bonds (distance) P-C4' energy: -83.161
flat angles C4'-P-C4' energy: -91.768
flat angles P-C4'-P energy: -71.959
tors. eta vs tors. theta energy: -108.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1328.666409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.666409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.666409 (E_RNA)
where:
Base-Base interactions energy: -916.566
where: short stacking energy: -367.847
Base-Backbone interact. energy: -1.912
local terms energy: -410.187587
where:
bonds (distance) C4'-P energy: -86.591
bonds (distance) P-C4' energy: -80.250
flat angles C4'-P-C4' energy: -83.899
flat angles P-C4'-P energy: -70.450
tors. eta vs tors. theta energy: -88.998
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: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1213.447584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.447584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.447584 (E_RNA)
where:
Base-Base interactions energy: -822.292
where: short stacking energy: -334.421
Base-Backbone interact. energy: 0.284
local terms energy: -391.440014
where:
bonds (distance) C4'-P energy: -91.928
bonds (distance) P-C4' energy: -85.088
flat angles C4'-P-C4' energy: -84.608
flat angles P-C4'-P energy: -51.690
tors. eta vs tors. theta energy: -78.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -875.998815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.998815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.998815 (E_RNA)
where:
Base-Base interactions energy: -554.777
where: short stacking energy: -255.529
Base-Backbone interact. energy: 1.345
local terms energy: -322.566419
where:
bonds (distance) C4'-P energy: -71.637
bonds (distance) P-C4' energy: -93.311
flat angles C4'-P-C4' energy: -73.491
flat angles P-C4'-P energy: -52.362
tors. eta vs tors. theta energy: -31.765
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: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -659.818113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.818113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.818113 (E_RNA)
where:
Base-Base interactions energy: -360.347
where: short stacking energy: -185.260
Base-Backbone interact. energy: -2.546
local terms energy: -296.925134
where:
bonds (distance) C4'-P energy: -80.483
bonds (distance) P-C4' energy: -88.578
flat angles C4'-P-C4' energy: -67.729
flat angles P-C4'-P energy: -45.643
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1813.997719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.997719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.997719 (E_RNA)
where:
Base-Base interactions energy: -1283.387
where: short stacking energy: -503.536
Base-Backbone interact. energy: -4.017
local terms energy: -526.594541
where:
bonds (distance) C4'-P energy: -94.290
bonds (distance) P-C4' energy: -106.568
flat angles C4'-P-C4' energy: -108.438
flat angles P-C4'-P energy: -80.339
tors. eta vs tors. theta energy: -136.959
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: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1806.589913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.589913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.589913 (E_RNA)
where:
Base-Base interactions energy: -1263.591
where: short stacking energy: -497.553
Base-Backbone interact. energy: -2.983
local terms energy: -540.015953
where:
bonds (distance) C4'-P energy: -100.462
bonds (distance) P-C4' energy: -109.952
flat angles C4'-P-C4' energy: -114.634
flat angles P-C4'-P energy: -76.292
tors. eta vs tors. theta energy: -138.676
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: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1755.205263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.205263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.205263 (E_RNA)
where:
Base-Base interactions energy: -1228.100
where: short stacking energy: -475.167
Base-Backbone interact. energy: 1.080
local terms energy: -528.185618
where:
bonds (distance) C4'-P energy: -101.026
bonds (distance) P-C4' energy: -100.306
flat angles C4'-P-C4' energy: -114.551
flat angles P-C4'-P energy: -77.112
tors. eta vs tors. theta energy: -135.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1630.985474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.985474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.985474 (E_RNA)
where:
Base-Base interactions energy: -1142.885
where: short stacking energy: -440.896
Base-Backbone interact. energy: -3.379
local terms energy: -484.721753
where:
bonds (distance) C4'-P energy: -97.839
bonds (distance) P-C4' energy: -104.056
flat angles C4'-P-C4' energy: -98.934
flat angles P-C4'-P energy: -69.181
tors. eta vs tors. theta energy: -114.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1569.342428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.342428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.342428 (E_RNA)
where:
Base-Base interactions energy: -1086.623
where: short stacking energy: -458.785
Base-Backbone interact. energy: 0.380
local terms energy: -483.099656
where:
bonds (distance) C4'-P energy: -100.245
bonds (distance) P-C4' energy: -90.679
flat angles C4'-P-C4' energy: -113.381
flat angles P-C4'-P energy: -52.446
tors. eta vs tors. theta energy: -126.349
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: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1539.019344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.019344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.019344 (E_RNA)
where:
Base-Base interactions energy: -1054.265
where: short stacking energy: -436.130
Base-Backbone interact. energy: -0.654
local terms energy: -484.100921
where:
bonds (distance) C4'-P energy: -85.366
bonds (distance) P-C4' energy: -103.730
flat angles C4'-P-C4' energy: -100.630
flat angles P-C4'-P energy: -80.240
tors. eta vs tors. theta energy: -114.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1339.239011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.239011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.239011 (E_RNA)
where:
Base-Base interactions energy: -897.939
where: short stacking energy: -371.499
Base-Backbone interact. energy: -1.886
local terms energy: -439.413486
where:
bonds (distance) C4'-P energy: -93.176
bonds (distance) P-C4' energy: -101.246
flat angles C4'-P-C4' energy: -94.689
flat angles P-C4'-P energy: -64.288
tors. eta vs tors. theta energy: -86.015
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: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1265.396105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.396105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.396105 (E_RNA)
where:
Base-Base interactions energy: -885.409
where: short stacking energy: -357.241
Base-Backbone interact. energy: 1.434
local terms energy: -381.421670
where:
bonds (distance) C4'-P energy: -79.075
bonds (distance) P-C4' energy: -84.819
flat angles C4'-P-C4' energy: -94.933
flat angles P-C4'-P energy: -46.276
tors. eta vs tors. theta energy: -76.318
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: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -923.447363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.447363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.447363 (E_RNA)
where:
Base-Base interactions energy: -573.908
where: short stacking energy: -259.958
Base-Backbone interact. energy: 2.694
local terms energy: -352.233934
where:
bonds (distance) C4'-P energy: -76.233
bonds (distance) P-C4' energy: -97.510
flat angles C4'-P-C4' energy: -84.510
flat angles P-C4'-P energy: -45.657
tors. eta vs tors. theta energy: -48.323
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: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -643.105877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.105877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.105877 (E_RNA)
where:
Base-Base interactions energy: -313.029
where: short stacking energy: -158.553
Base-Backbone interact. energy: 6.473
local terms energy: -336.549707
where:
bonds (distance) C4'-P energy: -88.925
bonds (distance) P-C4' energy: -104.906
flat angles C4'-P-C4' energy: -79.803
flat angles P-C4'-P energy: -66.317
tors. eta vs tors. theta energy: 3.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1845.746696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.746696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.746696 (E_RNA)
where:
Base-Base interactions energy: -1321.711
where: short stacking energy: -513.365
Base-Backbone interact. energy: 0.571
local terms energy: -524.606543
where:
bonds (distance) C4'-P energy: -101.043
bonds (distance) P-C4' energy: -103.327
flat angles C4'-P-C4' energy: -106.403
flat angles P-C4'-P energy: -72.287
tors. eta vs tors. theta energy: -141.547
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: 324
Temperature: 0.950000
Total energy: -1784.317004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.317004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.317004 (E_RNA)
where:
Base-Base interactions energy: -1258.831
where: short stacking energy: -481.757
Base-Backbone interact. energy: -2.743
local terms energy: -522.743000
where:
bonds (distance) C4'-P energy: -94.823
bonds (distance) P-C4' energy: -116.990
flat angles C4'-P-C4' energy: -113.494
flat angles P-C4'-P energy: -72.914
tors. eta vs tors. theta energy: -124.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1782.012754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.012754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.012754 (E_RNA)
where:
Base-Base interactions energy: -1280.677
where: short stacking energy: -498.623
Base-Backbone interact. energy: -4.638
local terms energy: -496.698639
where:
bonds (distance) C4'-P energy: -85.971
bonds (distance) P-C4' energy: -96.672
flat angles C4'-P-C4' energy: -118.504
flat angles P-C4'-P energy: -63.839
tors. eta vs tors. theta energy: -131.714
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: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1644.826557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.826557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.826557 (E_RNA)
where:
Base-Base interactions energy: -1180.623
where: short stacking energy: -453.320
Base-Backbone interact. energy: -2.018
local terms energy: -462.185952
where:
bonds (distance) C4'-P energy: -87.170
bonds (distance) P-C4' energy: -95.503
flat angles C4'-P-C4' energy: -102.672
flat angles P-C4'-P energy: -68.498
tors. eta vs tors. theta energy: -108.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1581.909739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.909739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.909739 (E_RNA)
where:
Base-Base interactions energy: -1108.499
where: short stacking energy: -450.094
Base-Backbone interact. energy: 1.710
local terms energy: -475.121014
where:
bonds (distance) C4'-P energy: -90.314
bonds (distance) P-C4' energy: -97.009
flat angles C4'-P-C4' energy: -109.363
flat angles P-C4'-P energy: -62.129
tors. eta vs tors. theta energy: -116.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1470.317876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.317876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.317876 (E_RNA)
where:
Base-Base interactions energy: -1016.332
where: short stacking energy: -424.097
Base-Backbone interact. energy: -1.910
local terms energy: -452.075542
where:
bonds (distance) C4'-P energy: -90.090
bonds (distance) P-C4' energy: -87.201
flat angles C4'-P-C4' energy: -93.668
flat angles P-C4'-P energy: -61.036
tors. eta vs tors. theta energy: -120.080
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: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1308.849208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.849208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.849208 (E_RNA)
where:
Base-Base interactions energy: -893.572
where: short stacking energy: -367.484
Base-Backbone interact. energy: -1.874
local terms energy: -413.403354
where:
bonds (distance) C4'-P energy: -86.695
bonds (distance) P-C4' energy: -86.944
flat angles C4'-P-C4' energy: -95.784
flat angles P-C4'-P energy: -62.607
tors. eta vs tors. theta energy: -81.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1248.299001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.299001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.299001 (E_RNA)
where:
Base-Base interactions energy: -883.904
where: short stacking energy: -351.705
Base-Backbone interact. energy: 6.194
local terms energy: -370.589177
where:
bonds (distance) C4'-P energy: -74.052
bonds (distance) P-C4' energy: -96.570
flat angles C4'-P-C4' energy: -83.124
flat angles P-C4'-P energy: -45.508
tors. eta vs tors. theta energy: -71.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -855.511030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.511030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.511030 (E_RNA)
where:
Base-Base interactions energy: -505.079
where: short stacking energy: -227.306
Base-Backbone interact. energy: -1.046
local terms energy: -349.385750
where:
bonds (distance) C4'-P energy: -94.801
bonds (distance) P-C4' energy: -91.978
flat angles C4'-P-C4' energy: -80.720
flat angles P-C4'-P energy: -47.599
tors. eta vs tors. theta energy: -34.288
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: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -628.073272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.073272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.073272 (E_RNA)
where:
Base-Base interactions energy: -327.042
where: short stacking energy: -176.221
Base-Backbone interact. energy: -1.423
local terms energy: -299.608605
where:
bonds (distance) C4'-P energy: -68.317
bonds (distance) P-C4' energy: -84.147
flat angles C4'-P-C4' energy: -88.586
flat angles P-C4'-P energy: -39.178
tors. eta vs tors. theta energy: -19.381
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: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1863.486842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.486842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.486842 (E_RNA)
where:
Base-Base interactions energy: -1320.054
where: short stacking energy: -510.121
Base-Backbone interact. energy: -0.528
local terms energy: -542.905079
where:
bonds (distance) C4'-P energy: -95.247
bonds (distance) P-C4' energy: -114.224
flat angles C4'-P-C4' energy: -114.685
flat angles P-C4'-P energy: -74.618
tors. eta vs tors. theta energy: -144.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1789.944932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.944932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.944932 (E_RNA)
where:
Base-Base interactions energy: -1276.840
where: short stacking energy: -486.457
Base-Backbone interact. energy: -4.678
local terms energy: -508.427375
where:
bonds (distance) C4'-P energy: -101.943
bonds (distance) P-C4' energy: -95.140
flat angles C4'-P-C4' energy: -115.874
flat angles P-C4'-P energy: -64.458
tors. eta vs tors. theta energy: -131.013
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: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1767.479080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.479080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.479080 (E_RNA)
where:
Base-Base interactions energy: -1259.258
where: short stacking energy: -504.441
Base-Backbone interact. energy: -2.028
local terms energy: -506.192732
where:
bonds (distance) C4'-P energy: -97.962
bonds (distance) P-C4' energy: -104.710
flat angles C4'-P-C4' energy: -106.055
flat angles P-C4'-P energy: -59.864
tors. eta vs tors. theta energy: -137.602
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: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1634.106013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.106013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.106013 (E_RNA)
where:
Base-Base interactions energy: -1136.959
where: short stacking energy: -441.326
Base-Backbone interact. energy: -1.193
local terms energy: -495.954486
where:
bonds (distance) C4'-P energy: -94.791
bonds (distance) P-C4' energy: -104.410
flat angles C4'-P-C4' energy: -103.596
flat angles P-C4'-P energy: -80.653
tors. eta vs tors. theta energy: -112.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1524.735742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.735742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.735742 (E_RNA)
where:
Base-Base interactions energy: -1048.013
where: short stacking energy: -432.803
Base-Backbone interact. energy: -2.803
local terms energy: -473.919900
where:
bonds (distance) C4'-P energy: -82.942
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -104.961
flat angles P-C4'-P energy: -79.747
tors. eta vs tors. theta energy: -113.083
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: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1482.887382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.887382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.887382 (E_RNA)
where:
Base-Base interactions energy: -1036.476
where: short stacking energy: -421.381
Base-Backbone interact. energy: 2.139
local terms energy: -448.550457
where:
bonds (distance) C4'-P energy: -76.426
bonds (distance) P-C4' energy: -97.555
flat angles C4'-P-C4' energy: -92.658
flat angles P-C4'-P energy: -68.953
tors. eta vs tors. theta energy: -112.958
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: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1301.619354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.619354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.619354 (E_RNA)
where:
Base-Base interactions energy: -906.449
where: short stacking energy: -367.324
Base-Backbone interact. energy: -1.012
local terms energy: -394.158823
where:
bonds (distance) C4'-P energy: -88.110
bonds (distance) P-C4' energy: -79.043
flat angles C4'-P-C4' energy: -79.478
flat angles P-C4'-P energy: -57.967
tors. eta vs tors. theta energy: -89.560
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: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1252.818987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.818987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.818987 (E_RNA)
where:
Base-Base interactions energy: -843.863
where: short stacking energy: -342.958
Base-Backbone interact. energy: -0.901
local terms energy: -408.054908
where:
bonds (distance) C4'-P energy: -82.554
bonds (distance) P-C4' energy: -72.933
flat angles C4'-P-C4' energy: -107.343
flat angles P-C4'-P energy: -70.362
tors. eta vs tors. theta energy: -74.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -859.794506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.794506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.794506 (E_RNA)
where:
Base-Base interactions energy: -514.556
where: short stacking energy: -261.873
Base-Backbone interact. energy: -0.202
local terms energy: -345.037481
where:
bonds (distance) C4'-P energy: -84.538
bonds (distance) P-C4' energy: -90.148
flat angles C4'-P-C4' energy: -90.750
flat angles P-C4'-P energy: -35.402
tors. eta vs tors. theta energy: -44.199
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: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -760.606199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.606199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.606199 (E_RNA)
where:
Base-Base interactions energy: -425.907
where: short stacking energy: -201.817
Base-Backbone interact. energy: -2.781
local terms energy: -331.917469
where:
bonds (distance) C4'-P energy: -65.109
bonds (distance) P-C4' energy: -107.541
flat angles C4'-P-C4' energy: -79.964
flat angles P-C4'-P energy: -59.195
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: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1847.739970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.739970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.739970 (E_RNA)
where:
Base-Base interactions energy: -1294.109
where: short stacking energy: -512.821
Base-Backbone interact. energy: -3.590
local terms energy: -550.041126
where:
bonds (distance) C4'-P energy: -105.339
bonds (distance) P-C4' energy: -113.815
flat angles C4'-P-C4' energy: -114.812
flat angles P-C4'-P energy: -73.660
tors. eta vs tors. theta energy: -142.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1781.054273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.054273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.054273 (E_RNA)
where:
Base-Base interactions energy: -1266.100
where: short stacking energy: -505.974
Base-Backbone interact. energy: -2.505
local terms energy: -512.449072
where:
bonds (distance) C4'-P energy: -100.697
bonds (distance) P-C4' energy: -94.759
flat angles C4'-P-C4' energy: -112.040
flat angles P-C4'-P energy: -74.472
tors. eta vs tors. theta energy: -130.481
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: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1746.063403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.063403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.063403 (E_RNA)
where:
Base-Base interactions energy: -1230.409
where: short stacking energy: -497.666
Base-Backbone interact. energy: -2.874
local terms energy: -512.780412
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -92.026
flat angles C4'-P-C4' energy: -118.106
flat angles P-C4'-P energy: -76.297
tors. eta vs tors. theta energy: -134.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1624.848684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.848684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.848684 (E_RNA)
where:
Base-Base interactions energy: -1131.605
where: short stacking energy: -448.146
Base-Backbone interact. energy: -2.156
local terms energy: -491.087585
where:
bonds (distance) C4'-P energy: -104.124
bonds (distance) P-C4' energy: -100.675
flat angles C4'-P-C4' energy: -102.582
flat angles P-C4'-P energy: -61.055
tors. eta vs tors. theta energy: -122.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1509.852650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.852650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.852650 (E_RNA)
where:
Base-Base interactions energy: -1030.552
where: short stacking energy: -439.485
Base-Backbone interact. energy: -3.093
local terms energy: -476.207657
where:
bonds (distance) C4'-P energy: -87.762
bonds (distance) P-C4' energy: -84.237
flat angles C4'-P-C4' energy: -115.118
flat angles P-C4'-P energy: -65.685
tors. eta vs tors. theta energy: -123.405
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: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1470.239228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.239228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.239228 (E_RNA)
where:
Base-Base interactions energy: -993.399
where: short stacking energy: -421.004
Base-Backbone interact. energy: -0.828
local terms energy: -476.011289
where:
bonds (distance) C4'-P energy: -92.091
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -102.048
flat angles P-C4'-P energy: -70.097
tors. eta vs tors. theta energy: -118.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1320.945598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.945598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.945598 (E_RNA)
where:
Base-Base interactions energy: -924.377
where: short stacking energy: -388.273
Base-Backbone interact. energy: -1.918
local terms energy: -394.650150
where:
bonds (distance) C4'-P energy: -85.113
bonds (distance) P-C4' energy: -79.468
flat angles C4'-P-C4' energy: -98.498
flat angles P-C4'-P energy: -51.782
tors. eta vs tors. theta energy: -79.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1269.288362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.288362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.288362 (E_RNA)
where:
Base-Base interactions energy: -853.552
where: short stacking energy: -350.522
Base-Backbone interact. energy: 1.100
local terms energy: -416.835581
where:
bonds (distance) C4'-P energy: -99.232
bonds (distance) P-C4' energy: -88.717
flat angles C4'-P-C4' energy: -95.860
flat angles P-C4'-P energy: -51.174
tors. eta vs tors. theta energy: -81.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -900.740103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.740103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.740103 (E_RNA)
where:
Base-Base interactions energy: -556.573
where: short stacking energy: -258.853
Base-Backbone interact. energy: 2.296
local terms energy: -346.463378
where:
bonds (distance) C4'-P energy: -67.740
bonds (distance) P-C4' energy: -83.731
flat angles C4'-P-C4' energy: -94.463
flat angles P-C4'-P energy: -53.988
tors. eta vs tors. theta energy: -46.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -726.531168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.531168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.531168 (E_RNA)
where:
Base-Base interactions energy: -403.685
where: short stacking energy: -204.618
Base-Backbone interact. energy: 0.857
local terms energy: -323.703458
where:
bonds (distance) C4'-P energy: -84.861
bonds (distance) P-C4' energy: -81.507
flat angles C4'-P-C4' energy: -76.297
flat angles P-C4'-P energy: -54.827
tors. eta vs tors. theta energy: -26.211
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: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1888.369632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.369632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.369632 (E_RNA)
where:
Base-Base interactions energy: -1358.971
where: short stacking energy: -517.132
Base-Backbone interact. energy: 1.282
local terms energy: -530.680743
where:
bonds (distance) C4'-P energy: -101.728
bonds (distance) P-C4' energy: -95.047
flat angles C4'-P-C4' energy: -110.508
flat angles P-C4'-P energy: -85.255
tors. eta vs tors. theta energy: -138.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1787.912737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.912737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.912737 (E_RNA)
where:
Base-Base interactions energy: -1269.431
where: short stacking energy: -502.542
Base-Backbone interact. energy: -2.326
local terms energy: -516.155648
where:
bonds (distance) C4'-P energy: -93.061
bonds (distance) P-C4' energy: -91.870
flat angles C4'-P-C4' energy: -114.797
flat angles P-C4'-P energy: -76.536
tors. eta vs tors. theta energy: -139.893
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: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1742.228261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.228261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.228261 (E_RNA)
where:
Base-Base interactions energy: -1231.198
where: short stacking energy: -474.459
Base-Backbone interact. energy: -4.041
local terms energy: -506.989467
where:
bonds (distance) C4'-P energy: -93.377
bonds (distance) P-C4' energy: -98.335
flat angles C4'-P-C4' energy: -110.162
flat angles P-C4'-P energy: -65.616
tors. eta vs tors. theta energy: -139.499
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: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1595.433710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.433710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.433710 (E_RNA)
where:
Base-Base interactions energy: -1161.962
where: short stacking energy: -481.950
Base-Backbone interact. energy: 0.284
local terms energy: -433.755491
where:
bonds (distance) C4'-P energy: -77.513
bonds (distance) P-C4' energy: -92.461
flat angles C4'-P-C4' energy: -97.759
flat angles P-C4'-P energy: -43.410
tors. eta vs tors. theta energy: -122.613
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: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1541.113866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.113866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.113866 (E_RNA)
where:
Base-Base interactions energy: -1087.599
where: short stacking energy: -453.807
Base-Backbone interact. energy: -3.463
local terms energy: -450.052148
where:
bonds (distance) C4'-P energy: -86.663
bonds (distance) P-C4' energy: -95.078
flat angles C4'-P-C4' energy: -96.381
flat angles P-C4'-P energy: -50.228
tors. eta vs tors. theta energy: -121.702
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: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1461.216869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.216869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.216869 (E_RNA)
where:
Base-Base interactions energy: -1005.268
where: short stacking energy: -413.008
Base-Backbone interact. energy: -0.453
local terms energy: -455.496109
where:
bonds (distance) C4'-P energy: -97.123
bonds (distance) P-C4' energy: -92.094
flat angles C4'-P-C4' energy: -89.989
flat angles P-C4'-P energy: -64.096
tors. eta vs tors. theta energy: -112.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1313.091148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.091148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.091148 (E_RNA)
where:
Base-Base interactions energy: -908.219
where: short stacking energy: -378.650
Base-Backbone interact. energy: -0.779
local terms energy: -404.092642
where:
bonds (distance) C4'-P energy: -73.230
bonds (distance) P-C4' energy: -75.410
flat angles C4'-P-C4' energy: -100.447
flat angles P-C4'-P energy: -62.773
tors. eta vs tors. theta energy: -92.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1228.693908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.693908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.693908 (E_RNA)
where:
Base-Base interactions energy: -843.286
where: short stacking energy: -359.532
Base-Backbone interact. energy: -0.386
local terms energy: -385.021551
where:
bonds (distance) C4'-P energy: -80.169
bonds (distance) P-C4' energy: -92.951
flat angles C4'-P-C4' energy: -87.049
flat angles P-C4'-P energy: -40.898
tors. eta vs tors. theta energy: -83.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -875.290924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.290924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.290924 (E_RNA)
where:
Base-Base interactions energy: -527.337
where: short stacking energy: -228.858
Base-Backbone interact. energy: -0.206
local terms energy: -347.748550
where:
bonds (distance) C4'-P energy: -81.055
bonds (distance) P-C4' energy: -91.610
flat angles C4'-P-C4' energy: -81.038
flat angles P-C4'-P energy: -59.061
tors. eta vs tors. theta energy: -34.984
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: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -731.819611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.819611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.819611 (E_RNA)
where:
Base-Base interactions energy: -430.893
where: short stacking energy: -220.277
Base-Backbone interact. energy: -1.640
local terms energy: -299.285997
where:
bonds (distance) C4'-P energy: -84.916
bonds (distance) P-C4' energy: -85.289
flat angles C4'-P-C4' energy: -73.475
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -16.137
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: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1875.784513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.784513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.784513 (E_RNA)
where:
Base-Base interactions energy: -1332.839
where: short stacking energy: -532.568
Base-Backbone interact. energy: -1.946
local terms energy: -540.998636
where:
bonds (distance) C4'-P energy: -95.157
bonds (distance) P-C4' energy: -102.683
flat angles C4'-P-C4' energy: -117.571
flat angles P-C4'-P energy: -84.179
tors. eta vs tors. theta energy: -141.409
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: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1790.681247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.681247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.681247 (E_RNA)
where:
Base-Base interactions energy: -1279.004
where: short stacking energy: -498.781
Base-Backbone interact. energy: -2.006
local terms energy: -509.671718
where:
bonds (distance) C4'-P energy: -96.120
bonds (distance) P-C4' energy: -91.320
flat angles C4'-P-C4' energy: -112.353
flat angles P-C4'-P energy: -82.954
tors. eta vs tors. theta energy: -126.924
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: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1741.249340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.249340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.249340 (E_RNA)
where:
Base-Base interactions energy: -1231.869
where: short stacking energy: -485.117
Base-Backbone interact. energy: -3.228
local terms energy: -506.151794
where:
bonds (distance) C4'-P energy: -87.092
bonds (distance) P-C4' energy: -82.983
flat angles C4'-P-C4' energy: -110.838
flat angles P-C4'-P energy: -85.969
tors. eta vs tors. theta energy: -139.269
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: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1632.547508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.547508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.547508 (E_RNA)
where:
Base-Base interactions energy: -1166.436
where: short stacking energy: -471.825
Base-Backbone interact. energy: -1.158
local terms energy: -464.952644
where:
bonds (distance) C4'-P energy: -86.004
bonds (distance) P-C4' energy: -109.331
flat angles C4'-P-C4' energy: -96.989
flat angles P-C4'-P energy: -60.313
tors. eta vs tors. theta energy: -112.315
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: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1537.019181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.019181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.019181 (E_RNA)
where:
Base-Base interactions energy: -1054.494
where: short stacking energy: -447.876
Base-Backbone interact. energy: -3.370
local terms energy: -479.155832
where:
bonds (distance) C4'-P energy: -90.974
bonds (distance) P-C4' energy: -94.538
flat angles C4'-P-C4' energy: -110.199
flat angles P-C4'-P energy: -59.495
tors. eta vs tors. theta energy: -123.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1487.400884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.400884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.400884 (E_RNA)
where:
Base-Base interactions energy: -1011.412
where: short stacking energy: -418.881
Base-Backbone interact. energy: 2.649
local terms energy: -478.638431
where:
bonds (distance) C4'-P energy: -95.255
bonds (distance) P-C4' energy: -99.989
flat angles C4'-P-C4' energy: -89.069
flat angles P-C4'-P energy: -73.791
tors. eta vs tors. theta energy: -120.534
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: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1271.450576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.450576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.450576 (E_RNA)
where:
Base-Base interactions energy: -877.967
where: short stacking energy: -373.497
Base-Backbone interact. energy: -2.978
local terms energy: -390.506158
where:
bonds (distance) C4'-P energy: -81.547
bonds (distance) P-C4' energy: -79.348
flat angles C4'-P-C4' energy: -96.955
flat angles P-C4'-P energy: -52.018
tors. eta vs tors. theta energy: -80.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1307.968702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.968702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.968702 (E_RNA)
where:
Base-Base interactions energy: -860.277
where: short stacking energy: -367.171
Base-Backbone interact. energy: -2.417
local terms energy: -445.274355
where:
bonds (distance) C4'-P energy: -88.315
bonds (distance) P-C4' energy: -87.880
flat angles C4'-P-C4' energy: -93.016
flat angles P-C4'-P energy: -73.988
tors. eta vs tors. theta energy: -102.075
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: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -939.388640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.388640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.388640 (E_RNA)
where:
Base-Base interactions energy: -587.534
where: short stacking energy: -281.798
Base-Backbone interact. energy: 1.892
local terms energy: -353.746715
where:
bonds (distance) C4'-P energy: -83.404
bonds (distance) P-C4' energy: -88.476
flat angles C4'-P-C4' energy: -82.673
flat angles P-C4'-P energy: -49.935
tors. eta vs tors. theta energy: -49.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -707.578522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.578522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.578522 (E_RNA)
where:
Base-Base interactions energy: -398.683
where: short stacking energy: -202.431
Base-Backbone interact. energy: -1.523
local terms energy: -307.373035
where:
bonds (distance) C4'-P energy: -92.507
bonds (distance) P-C4' energy: -86.147
flat angles C4'-P-C4' energy: -77.708
flat angles P-C4'-P energy: -40.764
tors. eta vs tors. theta energy: -10.247
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: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1858.514255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.514255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.514255 (E_RNA)
where:
Base-Base interactions energy: -1311.333
where: short stacking energy: -529.928
Base-Backbone interact. energy: -4.062
local terms energy: -543.120131
where:
bonds (distance) C4'-P energy: -104.870
bonds (distance) P-C4' energy: -97.271
flat angles C4'-P-C4' energy: -121.586
flat angles P-C4'-P energy: -76.119
tors. eta vs tors. theta energy: -143.274
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: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1754.393520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.393520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.393520 (E_RNA)
where:
Base-Base interactions energy: -1216.701
where: short stacking energy: -490.748
Base-Backbone interact. energy: -4.927
local terms energy: -532.766217
where:
bonds (distance) C4'-P energy: -101.543
bonds (distance) P-C4' energy: -99.929
flat angles C4'-P-C4' energy: -122.429
flat angles P-C4'-P energy: -73.391
tors. eta vs tors. theta energy: -135.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1748.765482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.765482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.765482 (E_RNA)
where:
Base-Base interactions energy: -1235.965
where: short stacking energy: -512.824
Base-Backbone interact. energy: -0.453
local terms energy: -512.347733
where:
bonds (distance) C4'-P energy: -87.824
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -113.743
flat angles P-C4'-P energy: -73.163
tors. eta vs tors. theta energy: -137.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1670.214223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.214223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.214223 (E_RNA)
where:
Base-Base interactions energy: -1178.589
where: short stacking energy: -467.549
Base-Backbone interact. energy: -2.864
local terms energy: -488.761427
where:
bonds (distance) C4'-P energy: -88.632
bonds (distance) P-C4' energy: -78.483
flat angles C4'-P-C4' energy: -109.576
flat angles P-C4'-P energy: -76.354
tors. eta vs tors. theta energy: -135.716
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: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1540.497536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.497536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.497536 (E_RNA)
where:
Base-Base interactions energy: -1082.046
where: short stacking energy: -429.533
Base-Backbone interact. energy: -3.397
local terms energy: -455.055056
where:
bonds (distance) C4'-P energy: -79.756
bonds (distance) P-C4' energy: -89.280
flat angles C4'-P-C4' energy: -102.658
flat angles P-C4'-P energy: -69.728
tors. eta vs tors. theta energy: -113.633
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: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1477.386097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.386097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.386097 (E_RNA)
where:
Base-Base interactions energy: -1024.972
where: short stacking energy: -429.150
Base-Backbone interact. energy: 1.450
local terms energy: -453.864590
where:
bonds (distance) C4'-P energy: -80.829
bonds (distance) P-C4' energy: -93.796
flat angles C4'-P-C4' energy: -95.783
flat angles P-C4'-P energy: -76.118
tors. eta vs tors. theta energy: -107.339
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: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1290.315144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.315144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.315144 (E_RNA)
where:
Base-Base interactions energy: -868.035
where: short stacking energy: -373.405
Base-Backbone interact. energy: -3.857
local terms energy: -418.422969
where:
bonds (distance) C4'-P energy: -99.229
bonds (distance) P-C4' energy: -88.241
flat angles C4'-P-C4' energy: -92.562
flat angles P-C4'-P energy: -47.950
tors. eta vs tors. theta energy: -90.441
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: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1258.691795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.691795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.691795 (E_RNA)
where:
Base-Base interactions energy: -843.797
where: short stacking energy: -376.756
Base-Backbone interact. energy: -0.117
local terms energy: -414.777980
where:
bonds (distance) C4'-P energy: -78.561
bonds (distance) P-C4' energy: -87.307
flat angles C4'-P-C4' energy: -104.490
flat angles P-C4'-P energy: -57.979
tors. eta vs tors. theta energy: -86.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -941.351930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.351930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.351930 (E_RNA)
where:
Base-Base interactions energy: -572.400
where: short stacking energy: -272.364
Base-Backbone interact. energy: -3.270
local terms energy: -365.682159
where:
bonds (distance) C4'-P energy: -82.666
bonds (distance) P-C4' energy: -79.560
flat angles C4'-P-C4' energy: -91.852
flat angles P-C4'-P energy: -57.524
tors. eta vs tors. theta energy: -54.080
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: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -710.988891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.988891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.988891 (E_RNA)
where:
Base-Base interactions energy: -399.667
where: short stacking energy: -206.954
Base-Backbone interact. energy: -1.654
local terms energy: -309.667795
where:
bonds (distance) C4'-P energy: -86.189
bonds (distance) P-C4' energy: -90.666
flat angles C4'-P-C4' energy: -82.145
flat angles P-C4'-P energy: -36.611
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1867.202024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.202024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.202024 (E_RNA)
where:
Base-Base interactions energy: -1336.510
where: short stacking energy: -520.675
Base-Backbone interact. energy: -3.270
local terms energy: -527.422305
where:
bonds (distance) C4'-P energy: -94.630
bonds (distance) P-C4' energy: -109.361
flat angles C4'-P-C4' energy: -117.891
flat angles P-C4'-P energy: -72.264
tors. eta vs tors. theta energy: -133.277
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: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1790.747773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.747773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.747773 (E_RNA)
where:
Base-Base interactions energy: -1261.097
where: short stacking energy: -493.538
Base-Backbone interact. energy: -2.213
local terms energy: -527.437777
where:
bonds (distance) C4'-P energy: -102.784
bonds (distance) P-C4' energy: -95.939
flat angles C4'-P-C4' energy: -114.316
flat angles P-C4'-P energy: -85.483
tors. eta vs tors. theta energy: -128.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1766.992926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.992926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.992926 (E_RNA)
where:
Base-Base interactions energy: -1247.495
where: short stacking energy: -509.192
Base-Backbone interact. energy: -4.950
local terms energy: -514.547673
where:
bonds (distance) C4'-P energy: -94.321
bonds (distance) P-C4' energy: -95.243
flat angles C4'-P-C4' energy: -108.439
flat angles P-C4'-P energy: -83.190
tors. eta vs tors. theta energy: -133.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1641.322642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.322642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.322642 (E_RNA)
where:
Base-Base interactions energy: -1178.794
where: short stacking energy: -448.607
Base-Backbone interact. energy: 2.680
local terms energy: -465.207960
where:
bonds (distance) C4'-P energy: -84.289
bonds (distance) P-C4' energy: -98.387
flat angles C4'-P-C4' energy: -104.847
flat angles P-C4'-P energy: -66.903
tors. eta vs tors. theta energy: -110.782
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: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1575.434021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.434021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.434021 (E_RNA)
where:
Base-Base interactions energy: -1072.316
where: short stacking energy: -428.875
Base-Backbone interact. energy: -2.949
local terms energy: -500.168729
where:
bonds (distance) C4'-P energy: -101.965
bonds (distance) P-C4' energy: -92.185
flat angles C4'-P-C4' energy: -112.373
flat angles P-C4'-P energy: -63.254
tors. eta vs tors. theta energy: -130.391
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: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1426.394362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.394362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.394362 (E_RNA)
where:
Base-Base interactions energy: -976.722
where: short stacking energy: -401.905
Base-Backbone interact. energy: -0.453
local terms energy: -449.218946
where:
bonds (distance) C4'-P energy: -93.945
bonds (distance) P-C4' energy: -83.332
flat angles C4'-P-C4' energy: -98.605
flat angles P-C4'-P energy: -64.522
tors. eta vs tors. theta energy: -108.816
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: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1253.198351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.198351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.198351 (E_RNA)
where:
Base-Base interactions energy: -841.170
where: short stacking energy: -372.485
Base-Backbone interact. energy: 1.493
local terms energy: -413.521673
where:
bonds (distance) C4'-P energy: -78.012
bonds (distance) P-C4' energy: -102.623
flat angles C4'-P-C4' energy: -87.919
flat angles P-C4'-P energy: -46.477
tors. eta vs tors. theta energy: -98.491
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: 330
Temperature: 1.250000
Total energy: -1186.428422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.428422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.428422 (E_RNA)
where:
Base-Base interactions energy: -801.489
where: short stacking energy: -358.211
Base-Backbone interact. energy: -2.902
local terms energy: -382.037396
where:
bonds (distance) C4'-P energy: -84.422
bonds (distance) P-C4' energy: -79.318
flat angles C4'-P-C4' energy: -87.313
flat angles P-C4'-P energy: -51.239
tors. eta vs tors. theta energy: -79.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -856.430986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.430986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.430986 (E_RNA)
where:
Base-Base interactions energy: -526.999
where: short stacking energy: -258.357
Base-Backbone interact. energy: -2.066
local terms energy: -327.366297
where:
bonds (distance) C4'-P energy: -81.542
bonds (distance) P-C4' energy: -87.480
flat angles C4'-P-C4' energy: -82.064
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: -46.577
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: 330
Temperature: 1.350000
Total energy: -716.409630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.409630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.409630 (E_RNA)
where:
Base-Base interactions energy: -438.210
where: short stacking energy: -225.554
Base-Backbone interact. energy: 0.195
local terms energy: -278.394431
where:
bonds (distance) C4'-P energy: -77.472
bonds (distance) P-C4' energy: -91.084
flat angles C4'-P-C4' energy: -49.732
flat angles P-C4'-P energy: -35.008
tors. eta vs tors. theta energy: -25.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1846.901831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.901831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.901831 (E_RNA)
where:
Base-Base interactions energy: -1307.676
where: short stacking energy: -519.685
Base-Backbone interact. energy: -3.119
local terms energy: -536.105912
where:
bonds (distance) C4'-P energy: -105.997
bonds (distance) P-C4' energy: -98.641
flat angles C4'-P-C4' energy: -107.830
flat angles P-C4'-P energy: -77.540
tors. eta vs tors. theta energy: -146.098
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: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1805.947180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.947180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.947180 (E_RNA)
where:
Base-Base interactions energy: -1305.340
where: short stacking energy: -486.806
Base-Backbone interact. energy: -3.114
local terms energy: -497.493266
where:
bonds (distance) C4'-P energy: -96.691
bonds (distance) P-C4' energy: -107.602
flat angles C4'-P-C4' energy: -108.733
flat angles P-C4'-P energy: -61.810
tors. eta vs tors. theta energy: -122.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1774.633321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.633321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.633321 (E_RNA)
where:
Base-Base interactions energy: -1271.087
where: short stacking energy: -508.901
Base-Backbone interact. energy: -5.657
local terms energy: -497.890064
where:
bonds (distance) C4'-P energy: -90.268
bonds (distance) P-C4' energy: -85.398
flat angles C4'-P-C4' energy: -109.243
flat angles P-C4'-P energy: -70.941
tors. eta vs tors. theta energy: -142.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1640.727463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.727463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.727463 (E_RNA)
where:
Base-Base interactions energy: -1165.995
where: short stacking energy: -464.127
Base-Backbone interact. energy: -0.758
local terms energy: -473.974574
where:
bonds (distance) C4'-P energy: -91.578
bonds (distance) P-C4' energy: -93.812
flat angles C4'-P-C4' energy: -102.956
flat angles P-C4'-P energy: -67.633
tors. eta vs tors. theta energy: -117.997
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: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1533.238695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.238695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.238695 (E_RNA)
where:
Base-Base interactions energy: -1072.304
where: short stacking energy: -446.418
Base-Backbone interact. energy: -2.287
local terms energy: -458.647092
where:
bonds (distance) C4'-P energy: -84.236
bonds (distance) P-C4' energy: -86.235
flat angles C4'-P-C4' energy: -109.357
flat angles P-C4'-P energy: -69.678
tors. eta vs tors. theta energy: -109.141
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: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1456.957196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.957196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.957196 (E_RNA)
where:
Base-Base interactions energy: -987.205
where: short stacking energy: -388.988
Base-Backbone interact. energy: -1.482
local terms energy: -468.270878
where:
bonds (distance) C4'-P energy: -102.993
bonds (distance) P-C4' energy: -97.245
flat angles C4'-P-C4' energy: -96.716
flat angles P-C4'-P energy: -59.162
tors. eta vs tors. theta energy: -112.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1328.770781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.770781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.770781 (E_RNA)
where:
Base-Base interactions energy: -898.487
where: short stacking energy: -373.383
Base-Backbone interact. energy: -1.296
local terms energy: -428.987646
where:
bonds (distance) C4'-P energy: -78.185
bonds (distance) P-C4' energy: -93.268
flat angles C4'-P-C4' energy: -104.430
flat angles P-C4'-P energy: -67.548
tors. eta vs tors. theta energy: -85.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1246.055090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.055090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.055090 (E_RNA)
where:
Base-Base interactions energy: -856.459
where: short stacking energy: -365.344
Base-Backbone interact. energy: 6.696
local terms energy: -396.291972
where:
bonds (distance) C4'-P energy: -78.075
bonds (distance) P-C4' energy: -80.200
flat angles C4'-P-C4' energy: -103.345
flat angles P-C4'-P energy: -57.482
tors. eta vs tors. theta energy: -77.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -845.244810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.244810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.244810 (E_RNA)
where:
Base-Base interactions energy: -511.250
where: short stacking energy: -244.992
Base-Backbone interact. energy: -1.648
local terms energy: -332.346776
where:
bonds (distance) C4'-P energy: -83.246
bonds (distance) P-C4' energy: -84.969
flat angles C4'-P-C4' energy: -74.768
flat angles P-C4'-P energy: -44.465
tors. eta vs tors. theta energy: -44.899
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: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -714.413014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.413014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.413014 (E_RNA)
where:
Base-Base interactions energy: -399.827
where: short stacking energy: -190.032
Base-Backbone interact. energy: 8.598
local terms energy: -323.183652
where:
bonds (distance) C4'-P energy: -90.095
bonds (distance) P-C4' energy: -90.055
flat angles C4'-P-C4' energy: -75.434
flat angles P-C4'-P energy: -50.819
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1862.621893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.621893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.621893 (E_RNA)
where:
Base-Base interactions energy: -1316.602
where: short stacking energy: -519.444
Base-Backbone interact. energy: -2.248
local terms energy: -543.771679
where:
bonds (distance) C4'-P energy: -112.472
bonds (distance) P-C4' energy: -107.481
flat angles C4'-P-C4' energy: -113.624
flat angles P-C4'-P energy: -68.095
tors. eta vs tors. theta energy: -142.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1816.219154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.219154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.219154 (E_RNA)
where:
Base-Base interactions energy: -1290.772
where: short stacking energy: -494.704
Base-Backbone interact. energy: -4.802
local terms energy: -520.645656
where:
bonds (distance) C4'-P energy: -99.322
bonds (distance) P-C4' energy: -95.087
flat angles C4'-P-C4' energy: -121.897
flat angles P-C4'-P energy: -76.705
tors. eta vs tors. theta energy: -127.634
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: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1772.826049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.826049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.826049 (E_RNA)
where:
Base-Base interactions energy: -1264.000
where: short stacking energy: -510.997
Base-Backbone interact. energy: -3.933
local terms energy: -504.892884
where:
bonds (distance) C4'-P energy: -88.221
bonds (distance) P-C4' energy: -92.086
flat angles C4'-P-C4' energy: -119.596
flat angles P-C4'-P energy: -67.137
tors. eta vs tors. theta energy: -137.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1650.484816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.484816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.484816 (E_RNA)
where:
Base-Base interactions energy: -1168.270
where: short stacking energy: -460.802
Base-Backbone interact. energy: 0.161
local terms energy: -482.375681
where:
bonds (distance) C4'-P energy: -99.197
bonds (distance) P-C4' energy: -95.081
flat angles C4'-P-C4' energy: -108.157
flat angles P-C4'-P energy: -51.345
tors. eta vs tors. theta energy: -128.596
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: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1565.556914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.556914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.556914 (E_RNA)
where:
Base-Base interactions energy: -1099.291
where: short stacking energy: -462.148
Base-Backbone interact. energy: -2.609
local terms energy: -463.656189
where:
bonds (distance) C4'-P energy: -94.470
bonds (distance) P-C4' energy: -71.648
flat angles C4'-P-C4' energy: -106.197
flat angles P-C4'-P energy: -64.868
tors. eta vs tors. theta energy: -126.473
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: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1464.693705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.693705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.693705 (E_RNA)
where:
Base-Base interactions energy: -992.612
where: short stacking energy: -407.541
Base-Backbone interact. energy: -3.067
local terms energy: -469.014738
where:
bonds (distance) C4'-P energy: -95.152
bonds (distance) P-C4' energy: -91.889
flat angles C4'-P-C4' energy: -95.139
flat angles P-C4'-P energy: -69.937
tors. eta vs tors. theta energy: -116.898
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: 332
Temperature: 1.200000
Total energy: -1280.474772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.474772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.474772 (E_RNA)
where:
Base-Base interactions energy: -885.818
where: short stacking energy: -361.495
Base-Backbone interact. energy: -0.006
local terms energy: -394.650469
where:
bonds (distance) C4'-P energy: -79.580
bonds (distance) P-C4' energy: -88.721
flat angles C4'-P-C4' energy: -74.350
flat angles P-C4'-P energy: -73.870
tors. eta vs tors. theta energy: -78.129
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: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1269.212373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.212373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.212373 (E_RNA)
where:
Base-Base interactions energy: -885.217
where: short stacking energy: -373.186
Base-Backbone interact. energy: -1.992
local terms energy: -382.003206
where:
bonds (distance) C4'-P energy: -77.110
bonds (distance) P-C4' energy: -72.492
flat angles C4'-P-C4' energy: -109.281
flat angles P-C4'-P energy: -47.175
tors. eta vs tors. theta energy: -75.946
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: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -921.379642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.379642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.379642 (E_RNA)
where:
Base-Base interactions energy: -597.432
where: short stacking energy: -271.927
Base-Backbone interact. energy: 5.803
local terms energy: -329.750445
where:
bonds (distance) C4'-P energy: -70.959
bonds (distance) P-C4' energy: -83.437
flat angles C4'-P-C4' energy: -76.072
flat angles P-C4'-P energy: -47.950
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: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -702.696326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.696326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.696326 (E_RNA)
where:
Base-Base interactions energy: -438.164
where: short stacking energy: -220.911
Base-Backbone interact. energy: -0.014
local terms energy: -264.518804
where:
bonds (distance) C4'-P energy: -39.971
bonds (distance) P-C4' energy: -83.473
flat angles C4'-P-C4' energy: -82.852
flat angles P-C4'-P energy: -36.052
tors. eta vs tors. theta energy: -22.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1863.975755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.975755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.975755 (E_RNA)
where:
Base-Base interactions energy: -1324.042
where: short stacking energy: -529.404
Base-Backbone interact. energy: -5.611
local terms energy: -534.323479
where:
bonds (distance) C4'-P energy: -99.719
bonds (distance) P-C4' energy: -98.142
flat angles C4'-P-C4' energy: -112.032
flat angles P-C4'-P energy: -79.021
tors. eta vs tors. theta energy: -145.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1830.572560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.572560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.572560 (E_RNA)
where:
Base-Base interactions energy: -1285.817
where: short stacking energy: -508.208
Base-Backbone interact. energy: -3.543
local terms energy: -541.212625
where:
bonds (distance) C4'-P energy: -103.544
bonds (distance) P-C4' energy: -105.453
flat angles C4'-P-C4' energy: -120.986
flat angles P-C4'-P energy: -74.889
tors. eta vs tors. theta energy: -136.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1746.736980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.736980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.736980 (E_RNA)
where:
Base-Base interactions energy: -1216.865
where: short stacking energy: -506.958
Base-Backbone interact. energy: -3.871
local terms energy: -526.001053
where:
bonds (distance) C4'-P energy: -99.299
bonds (distance) P-C4' energy: -103.521
flat angles C4'-P-C4' energy: -115.770
flat angles P-C4'-P energy: -69.288
tors. eta vs tors. theta energy: -138.123
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: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1660.548481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.548481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.548481 (E_RNA)
where:
Base-Base interactions energy: -1181.534
where: short stacking energy: -467.609
Base-Backbone interact. energy: 0.618
local terms energy: -479.632811
where:
bonds (distance) C4'-P energy: -83.555
bonds (distance) P-C4' energy: -99.374
flat angles C4'-P-C4' energy: -104.688
flat angles P-C4'-P energy: -71.090
tors. eta vs tors. theta energy: -120.925
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: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1597.958184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.958184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.958184 (E_RNA)
where:
Base-Base interactions energy: -1126.144
where: short stacking energy: -460.991
Base-Backbone interact. energy: -2.814
local terms energy: -469.000038
where:
bonds (distance) C4'-P energy: -92.513
bonds (distance) P-C4' energy: -85.366
flat angles C4'-P-C4' energy: -115.900
flat angles P-C4'-P energy: -53.919
tors. eta vs tors. theta energy: -121.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1443.446426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.446426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.446426 (E_RNA)
where:
Base-Base interactions energy: -992.899
where: short stacking energy: -402.553
Base-Backbone interact. energy: -1.985
local terms energy: -448.563100
where:
bonds (distance) C4'-P energy: -83.198
bonds (distance) P-C4' energy: -99.690
flat angles C4'-P-C4' energy: -100.750
flat angles P-C4'-P energy: -61.196
tors. eta vs tors. theta energy: -103.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1307.879953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.879953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.879953 (E_RNA)
where:
Base-Base interactions energy: -871.429
where: short stacking energy: -392.930
Base-Backbone interact. energy: -3.279
local terms energy: -433.171771
where:
bonds (distance) C4'-P energy: -74.994
bonds (distance) P-C4' energy: -92.877
flat angles C4'-P-C4' energy: -94.413
flat angles P-C4'-P energy: -67.465
tors. eta vs tors. theta energy: -103.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1261.454968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.454968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.454968 (E_RNA)
where:
Base-Base interactions energy: -862.278
where: short stacking energy: -364.839
Base-Backbone interact. energy: 4.561
local terms energy: -403.737676
where:
bonds (distance) C4'-P energy: -68.567
bonds (distance) P-C4' energy: -100.692
flat angles C4'-P-C4' energy: -108.783
flat angles P-C4'-P energy: -50.820
tors. eta vs tors. theta energy: -74.875
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: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -863.272203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.272203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.272203 (E_RNA)
where:
Base-Base interactions energy: -525.401
where: short stacking energy: -254.015
Base-Backbone interact. energy: 0.501
local terms energy: -338.371975
where:
bonds (distance) C4'-P energy: -71.145
bonds (distance) P-C4' energy: -82.596
flat angles C4'-P-C4' energy: -89.746
flat angles P-C4'-P energy: -46.189
tors. eta vs tors. theta energy: -48.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -732.385700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.385700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.385700 (E_RNA)
where:
Base-Base interactions energy: -432.035
where: short stacking energy: -190.518
Base-Backbone interact. energy: -2.889
local terms energy: -297.461588
where:
bonds (distance) C4'-P energy: -77.540
bonds (distance) P-C4' energy: -81.866
flat angles C4'-P-C4' energy: -89.492
flat angles P-C4'-P energy: -41.362
tors. eta vs tors. theta energy: -7.202
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: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1838.588947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.588947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.588947 (E_RNA)
where:
Base-Base interactions energy: -1305.905
where: short stacking energy: -509.446
Base-Backbone interact. energy: -0.993
local terms energy: -531.691268
where:
bonds (distance) C4'-P energy: -92.765
bonds (distance) P-C4' energy: -107.444
flat angles C4'-P-C4' energy: -112.526
flat angles P-C4'-P energy: -73.934
tors. eta vs tors. theta energy: -145.022
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: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1789.014367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.014367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.014367 (E_RNA)
where:
Base-Base interactions energy: -1274.385
where: short stacking energy: -493.262
Base-Backbone interact. energy: -1.273
local terms energy: -513.356917
where:
bonds (distance) C4'-P energy: -94.472
bonds (distance) P-C4' energy: -112.912
flat angles C4'-P-C4' energy: -101.391
flat angles P-C4'-P energy: -77.358
tors. eta vs tors. theta energy: -127.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1763.294280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.294280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.294280 (E_RNA)
where:
Base-Base interactions energy: -1232.397
where: short stacking energy: -510.019
Base-Backbone interact. energy: -5.219
local terms energy: -525.678111
where:
bonds (distance) C4'-P energy: -91.785
bonds (distance) P-C4' energy: -105.606
flat angles C4'-P-C4' energy: -120.508
flat angles P-C4'-P energy: -73.376
tors. eta vs tors. theta energy: -134.403
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: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1659.723492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.723492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.723492 (E_RNA)
where:
Base-Base interactions energy: -1144.642
where: short stacking energy: -478.401
Base-Backbone interact. energy: -1.923
local terms energy: -513.158439
where:
bonds (distance) C4'-P energy: -88.785
bonds (distance) P-C4' energy: -109.672
flat angles C4'-P-C4' energy: -114.806
flat angles P-C4'-P energy: -66.346
tors. eta vs tors. theta energy: -133.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1557.255402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.255402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.255402 (E_RNA)
where:
Base-Base interactions energy: -1104.947
where: short stacking energy: -457.909
Base-Backbone interact. energy: 0.768
local terms energy: -453.076070
where:
bonds (distance) C4'-P energy: -86.478
bonds (distance) P-C4' energy: -85.342
flat angles C4'-P-C4' energy: -105.163
flat angles P-C4'-P energy: -56.673
tors. eta vs tors. theta energy: -119.420
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: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1419.384587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.384587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.384587 (E_RNA)
where:
Base-Base interactions energy: -963.504
where: short stacking energy: -417.334
Base-Backbone interact. energy: 0.920
local terms energy: -456.800627
where:
bonds (distance) C4'-P energy: -93.734
bonds (distance) P-C4' energy: -98.395
flat angles C4'-P-C4' energy: -90.144
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -120.610
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: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1268.060100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.060100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.060100 (E_RNA)
where:
Base-Base interactions energy: -846.636
where: short stacking energy: -339.535
Base-Backbone interact. energy: -2.996
local terms energy: -418.428157
where:
bonds (distance) C4'-P energy: -83.392
bonds (distance) P-C4' energy: -81.718
flat angles C4'-P-C4' energy: -100.263
flat angles P-C4'-P energy: -67.206
tors. eta vs tors. theta energy: -85.849
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: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1265.385853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.385853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.385853 (E_RNA)
where:
Base-Base interactions energy: -873.568
where: short stacking energy: -364.955
Base-Backbone interact. energy: 0.151
local terms energy: -391.969034
where:
bonds (distance) C4'-P energy: -90.190
bonds (distance) P-C4' energy: -84.773
flat angles C4'-P-C4' energy: -79.678
flat angles P-C4'-P energy: -52.931
tors. eta vs tors. theta energy: -84.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -841.434597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.434597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.434597 (E_RNA)
where:
Base-Base interactions energy: -489.825
where: short stacking energy: -238.179
Base-Backbone interact. energy: -0.637
local terms energy: -350.972519
where:
bonds (distance) C4'-P energy: -89.412
bonds (distance) P-C4' energy: -88.842
flat angles C4'-P-C4' energy: -87.628
flat angles P-C4'-P energy: -49.438
tors. eta vs tors. theta energy: -35.653
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: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -692.213637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.213637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.213637 (E_RNA)
where:
Base-Base interactions energy: -395.530
where: short stacking energy: -187.789
Base-Backbone interact. energy: -1.952
local terms energy: -294.731358
where:
bonds (distance) C4'-P energy: -64.777
bonds (distance) P-C4' energy: -92.981
flat angles C4'-P-C4' energy: -68.004
flat angles P-C4'-P energy: -58.580
tors. eta vs tors. theta energy: -10.390
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: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1847.050301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.050301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.050301 (E_RNA)
where:
Base-Base interactions energy: -1296.262
where: short stacking energy: -508.883
Base-Backbone interact. energy: -3.094
local terms energy: -547.693969
where:
bonds (distance) C4'-P energy: -109.610
bonds (distance) P-C4' energy: -100.674
flat angles C4'-P-C4' energy: -121.315
flat angles P-C4'-P energy: -76.337
tors. eta vs tors. theta energy: -139.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1768.281040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.281040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.281040 (E_RNA)
where:
Base-Base interactions energy: -1264.787
where: short stacking energy: -493.612
Base-Backbone interact. energy: -1.665
local terms energy: -501.829043
where:
bonds (distance) C4'-P energy: -99.995
bonds (distance) P-C4' energy: -101.661
flat angles C4'-P-C4' energy: -103.568
flat angles P-C4'-P energy: -75.757
tors. eta vs tors. theta energy: -120.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1731.817342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.817342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.817342 (E_RNA)
where:
Base-Base interactions energy: -1214.505
where: short stacking energy: -492.622
Base-Backbone interact. energy: 0.134
local terms energy: -517.446410
where:
bonds (distance) C4'-P energy: -101.539
bonds (distance) P-C4' energy: -95.204
flat angles C4'-P-C4' energy: -107.459
flat angles P-C4'-P energy: -76.610
tors. eta vs tors. theta energy: -136.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1652.088884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.088884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.088884 (E_RNA)
where:
Base-Base interactions energy: -1176.163
where: short stacking energy: -484.431
Base-Backbone interact. energy: -1.683
local terms energy: -474.242849
where:
bonds (distance) C4'-P energy: -82.449
bonds (distance) P-C4' energy: -90.642
flat angles C4'-P-C4' energy: -96.744
flat angles P-C4'-P energy: -71.106
tors. eta vs tors. theta energy: -133.302
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: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1535.589449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.589449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.589449 (E_RNA)
where:
Base-Base interactions energy: -1046.736
where: short stacking energy: -453.123
Base-Backbone interact. energy: -0.024
local terms energy: -488.829053
where:
bonds (distance) C4'-P energy: -99.971
bonds (distance) P-C4' energy: -91.313
flat angles C4'-P-C4' energy: -106.769
flat angles P-C4'-P energy: -72.905
tors. eta vs tors. theta energy: -117.871
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: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1398.496111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.496111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.496111 (E_RNA)
where:
Base-Base interactions energy: -943.882
where: short stacking energy: -413.892
Base-Backbone interact. energy: -2.070
local terms energy: -452.544306
where:
bonds (distance) C4'-P energy: -94.752
bonds (distance) P-C4' energy: -77.491
flat angles C4'-P-C4' energy: -98.794
flat angles P-C4'-P energy: -78.573
tors. eta vs tors. theta energy: -102.934
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: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1330.563985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.563985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.563985 (E_RNA)
where:
Base-Base interactions energy: -923.247
where: short stacking energy: -386.967
Base-Backbone interact. energy: 4.327
local terms energy: -411.644429
where:
bonds (distance) C4'-P energy: -69.575
bonds (distance) P-C4' energy: -87.556
flat angles C4'-P-C4' energy: -94.762
flat angles P-C4'-P energy: -62.044
tors. eta vs tors. theta energy: -97.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1228.216671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.216671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.216671 (E_RNA)
where:
Base-Base interactions energy: -851.395
where: short stacking energy: -366.329
Base-Backbone interact. energy: -0.173
local terms energy: -376.648727
where:
bonds (distance) C4'-P energy: -73.944
bonds (distance) P-C4' energy: -79.361
flat angles C4'-P-C4' energy: -88.455
flat angles P-C4'-P energy: -53.404
tors. eta vs tors. theta energy: -81.485
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: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -862.849222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.849222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.849222 (E_RNA)
where:
Base-Base interactions energy: -525.319
where: short stacking energy: -247.033
Base-Backbone interact. energy: -0.363
local terms energy: -337.167693
where:
bonds (distance) C4'-P energy: -66.536
bonds (distance) P-C4' energy: -70.911
flat angles C4'-P-C4' energy: -93.486
flat angles P-C4'-P energy: -65.736
tors. eta vs tors. theta energy: -40.499
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: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -686.575375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.575375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.575375 (E_RNA)
where:
Base-Base interactions energy: -405.183
where: short stacking energy: -191.959
Base-Backbone interact. energy: 0.717
local terms energy: -282.109076
where:
bonds (distance) C4'-P energy: -72.701
bonds (distance) P-C4' energy: -83.146
flat angles C4'-P-C4' energy: -85.277
flat angles P-C4'-P energy: -35.467
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1864.203295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.203295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.203295 (E_RNA)
where:
Base-Base interactions energy: -1322.383
where: short stacking energy: -509.401
Base-Backbone interact. energy: -4.107
local terms energy: -537.713574
where:
bonds (distance) C4'-P energy: -106.943
bonds (distance) P-C4' energy: -93.010
flat angles C4'-P-C4' energy: -122.383
flat angles P-C4'-P energy: -76.746
tors. eta vs tors. theta energy: -138.631
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: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1797.536010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.536010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.536010 (E_RNA)
where:
Base-Base interactions energy: -1271.350
where: short stacking energy: -472.182
Base-Backbone interact. energy: 1.139
local terms energy: -527.325502
where:
bonds (distance) C4'-P energy: -95.043
bonds (distance) P-C4' energy: -110.797
flat angles C4'-P-C4' energy: -108.527
flat angles P-C4'-P energy: -82.538
tors. eta vs tors. theta energy: -130.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1737.492615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.492615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.492615 (E_RNA)
where:
Base-Base interactions energy: -1239.979
where: short stacking energy: -490.272
Base-Backbone interact. energy: 0.744
local terms energy: -498.258098
where:
bonds (distance) C4'-P energy: -91.782
bonds (distance) P-C4' energy: -100.791
flat angles C4'-P-C4' energy: -103.121
flat angles P-C4'-P energy: -71.537
tors. eta vs tors. theta energy: -131.027
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: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1624.254829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.254829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.254829 (E_RNA)
where:
Base-Base interactions energy: -1131.616
where: short stacking energy: -457.511
Base-Backbone interact. energy: 1.577
local terms energy: -494.215306
where:
bonds (distance) C4'-P energy: -93.474
bonds (distance) P-C4' energy: -104.823
flat angles C4'-P-C4' energy: -97.763
flat angles P-C4'-P energy: -72.336
tors. eta vs tors. theta energy: -125.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1581.049240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.049240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.049240 (E_RNA)
where:
Base-Base interactions energy: -1124.356
where: short stacking energy: -487.726
Base-Backbone interact. energy: -0.794
local terms energy: -455.899175
where:
bonds (distance) C4'-P energy: -83.404
bonds (distance) P-C4' energy: -88.084
flat angles C4'-P-C4' energy: -104.198
flat angles P-C4'-P energy: -66.588
tors. eta vs tors. theta energy: -113.625
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: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1331.410713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.410713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.410713 (E_RNA)
where:
Base-Base interactions energy: -905.619
where: short stacking energy: -391.376
Base-Backbone interact. energy: -2.195
local terms energy: -423.596468
where:
bonds (distance) C4'-P energy: -84.435
bonds (distance) P-C4' energy: -83.769
flat angles C4'-P-C4' energy: -111.695
flat angles P-C4'-P energy: -61.688
tors. eta vs tors. theta energy: -82.010
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: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1320.097830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.097830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.097830 (E_RNA)
where:
Base-Base interactions energy: -895.227
where: short stacking energy: -367.239
Base-Backbone interact. energy: 0.035
local terms energy: -424.906496
where:
bonds (distance) C4'-P energy: -81.616
bonds (distance) P-C4' energy: -91.430
flat angles C4'-P-C4' energy: -106.228
flat angles P-C4'-P energy: -70.068
tors. eta vs tors. theta energy: -75.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1301.891474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.891474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.891474 (E_RNA)
where:
Base-Base interactions energy: -890.675
where: short stacking energy: -361.669
Base-Backbone interact. energy: -1.660
local terms energy: -409.557209
where:
bonds (distance) C4'-P energy: -70.076
bonds (distance) P-C4' energy: -98.002
flat angles C4'-P-C4' energy: -94.179
flat angles P-C4'-P energy: -60.598
tors. eta vs tors. theta energy: -86.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -777.153391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.153391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.153391 (E_RNA)
where:
Base-Base interactions energy: -439.192
where: short stacking energy: -243.238
Base-Backbone interact. energy: 3.784
local terms energy: -341.746219
where:
bonds (distance) C4'-P energy: -90.154
bonds (distance) P-C4' energy: -96.639
flat angles C4'-P-C4' energy: -87.130
flat angles P-C4'-P energy: -44.038
tors. eta vs tors. theta energy: -23.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -800.586014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.586014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.586014 (E_RNA)
where:
Base-Base interactions energy: -486.478
where: short stacking energy: -240.703
Base-Backbone interact. energy: -1.012
local terms energy: -313.096538
where:
bonds (distance) C4'-P energy: -71.326
bonds (distance) P-C4' energy: -69.201
flat angles C4'-P-C4' energy: -77.583
flat angles P-C4'-P energy: -53.229
tors. eta vs tors. theta energy: -41.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1837.946368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.946368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.946368 (E_RNA)
where:
Base-Base interactions energy: -1307.995
where: short stacking energy: -488.369
Base-Backbone interact. energy: -2.776
local terms energy: -527.175064
where:
bonds (distance) C4'-P energy: -98.593
bonds (distance) P-C4' energy: -102.982
flat angles C4'-P-C4' energy: -116.549
flat angles P-C4'-P energy: -81.285
tors. eta vs tors. theta energy: -127.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1770.990256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.990256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.990256 (E_RNA)
where:
Base-Base interactions energy: -1249.271
where: short stacking energy: -476.227
Base-Backbone interact. energy: -0.745
local terms energy: -520.975022
where:
bonds (distance) C4'-P energy: -92.022
bonds (distance) P-C4' energy: -103.050
flat angles C4'-P-C4' energy: -117.894
flat angles P-C4'-P energy: -84.172
tors. eta vs tors. theta energy: -123.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1741.977365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.977365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.977365 (E_RNA)
where:
Base-Base interactions energy: -1211.574
where: short stacking energy: -499.775
Base-Backbone interact. energy: 3.252
local terms energy: -533.654711
where:
bonds (distance) C4'-P energy: -103.120
bonds (distance) P-C4' energy: -98.816
flat angles C4'-P-C4' energy: -115.080
flat angles P-C4'-P energy: -74.721
tors. eta vs tors. theta energy: -141.918
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: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1636.174509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.174509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.174509 (E_RNA)
where:
Base-Base interactions energy: -1142.689
where: short stacking energy: -465.043
Base-Backbone interact. energy: -0.800
local terms energy: -492.685308
where:
bonds (distance) C4'-P energy: -93.527
bonds (distance) P-C4' energy: -104.680
flat angles C4'-P-C4' energy: -108.260
flat angles P-C4'-P energy: -66.328
tors. eta vs tors. theta energy: -119.891
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: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1561.349155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.349155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.349155 (E_RNA)
where:
Base-Base interactions energy: -1086.518
where: short stacking energy: -422.507
Base-Backbone interact. energy: 0.889
local terms energy: -475.720776
where:
bonds (distance) C4'-P energy: -95.936
bonds (distance) P-C4' energy: -96.375
flat angles C4'-P-C4' energy: -106.939
flat angles P-C4'-P energy: -65.470
tors. eta vs tors. theta energy: -111.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1358.516633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.516633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.516633 (E_RNA)
where:
Base-Base interactions energy: -930.730
where: short stacking energy: -401.826
Base-Backbone interact. energy: -2.305
local terms energy: -425.481653
where:
bonds (distance) C4'-P energy: -93.956
bonds (distance) P-C4' energy: -79.744
flat angles C4'-P-C4' energy: -91.366
flat angles P-C4'-P energy: -67.785
tors. eta vs tors. theta energy: -92.630
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: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1295.597141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.597141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.597141 (E_RNA)
where:
Base-Base interactions energy: -879.744
where: short stacking energy: -367.800
Base-Backbone interact. energy: 0.623
local terms energy: -416.476641
where:
bonds (distance) C4'-P energy: -71.707
bonds (distance) P-C4' energy: -98.938
flat angles C4'-P-C4' energy: -98.293
flat angles P-C4'-P energy: -57.389
tors. eta vs tors. theta energy: -90.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1329.585818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.585818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.585818 (E_RNA)
where:
Base-Base interactions energy: -936.881
where: short stacking energy: -408.332
Base-Backbone interact. energy: -2.439
local terms energy: -390.265725
where:
bonds (distance) C4'-P energy: -73.948
bonds (distance) P-C4' energy: -84.179
flat angles C4'-P-C4' energy: -80.265
flat angles P-C4'-P energy: -54.251
tors. eta vs tors. theta energy: -97.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -708.164924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.164924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.164924 (E_RNA)
where:
Base-Base interactions energy: -399.836
where: short stacking energy: -205.229
Base-Backbone interact. energy: 3.921
local terms energy: -312.249987
where:
bonds (distance) C4'-P energy: -88.500
bonds (distance) P-C4' energy: -80.854
flat angles C4'-P-C4' energy: -70.489
flat angles P-C4'-P energy: -37.670
tors. eta vs tors. theta energy: -34.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -786.608244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.608244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.608244 (E_RNA)
where:
Base-Base interactions energy: -467.624
where: short stacking energy: -217.013
Base-Backbone interact. energy: 0.200
local terms energy: -319.183820
where:
bonds (distance) C4'-P energy: -91.626
bonds (distance) P-C4' energy: -74.881
flat angles C4'-P-C4' energy: -74.573
flat angles P-C4'-P energy: -53.394
tors. eta vs tors. theta energy: -24.710
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: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1823.670439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.670439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.670439 (E_RNA)
where:
Base-Base interactions energy: -1305.923
where: short stacking energy: -496.385
Base-Backbone interact. energy: 4.853
local terms energy: -522.599652
where:
bonds (distance) C4'-P energy: -97.838
bonds (distance) P-C4' energy: -111.722
flat angles C4'-P-C4' energy: -103.351
flat angles P-C4'-P energy: -77.262
tors. eta vs tors. theta energy: -132.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1756.912532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.912532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.912532 (E_RNA)
where:
Base-Base interactions energy: -1235.113
where: short stacking energy: -487.547
Base-Backbone interact. energy: -6.145
local terms energy: -515.654611
where:
bonds (distance) C4'-P energy: -92.656
bonds (distance) P-C4' energy: -104.368
flat angles C4'-P-C4' energy: -102.796
flat angles P-C4'-P energy: -77.415
tors. eta vs tors. theta energy: -138.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1753.212663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.212663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.212663 (E_RNA)
where:
Base-Base interactions energy: -1254.711
where: short stacking energy: -486.249
Base-Backbone interact. energy: 0.083
local terms energy: -498.584453
where:
bonds (distance) C4'-P energy: -102.176
bonds (distance) P-C4' energy: -99.299
flat angles C4'-P-C4' energy: -102.713
flat angles P-C4'-P energy: -58.993
tors. eta vs tors. theta energy: -135.403
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: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1661.487797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.487797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.487797 (E_RNA)
where:
Base-Base interactions energy: -1160.864
where: short stacking energy: -492.481
Base-Backbone interact. energy: -0.739
local terms energy: -499.885345
where:
bonds (distance) C4'-P energy: -88.884
bonds (distance) P-C4' energy: -100.441
flat angles C4'-P-C4' energy: -106.932
flat angles P-C4'-P energy: -70.755
tors. eta vs tors. theta energy: -132.874
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: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1544.373067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.373067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.373067 (E_RNA)
where:
Base-Base interactions energy: -1090.306
where: short stacking energy: -412.749
Base-Backbone interact. energy: -1.990
local terms energy: -452.077638
where:
bonds (distance) C4'-P energy: -98.136
bonds (distance) P-C4' energy: -85.698
flat angles C4'-P-C4' energy: -110.036
flat angles P-C4'-P energy: -58.166
tors. eta vs tors. theta energy: -100.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1399.543108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.543108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.543108 (E_RNA)
where:
Base-Base interactions energy: -955.693
where: short stacking energy: -416.586
Base-Backbone interact. energy: -1.522
local terms energy: -442.327431
where:
bonds (distance) C4'-P energy: -82.579
bonds (distance) P-C4' energy: -90.869
flat angles C4'-P-C4' energy: -100.914
flat angles P-C4'-P energy: -50.781
tors. eta vs tors. theta energy: -117.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1376.928638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.928638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.928638 (E_RNA)
where:
Base-Base interactions energy: -953.410
where: short stacking energy: -395.911
Base-Backbone interact. energy: 7.443
local terms energy: -430.961250
where:
bonds (distance) C4'-P energy: -82.537
bonds (distance) P-C4' energy: -87.308
flat angles C4'-P-C4' energy: -97.665
flat angles P-C4'-P energy: -64.655
tors. eta vs tors. theta energy: -98.796
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: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1238.262925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.262925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.262925 (E_RNA)
where:
Base-Base interactions energy: -846.064
where: short stacking energy: -355.011
Base-Backbone interact. energy: -0.504
local terms energy: -391.694486
where:
bonds (distance) C4'-P energy: -89.187
bonds (distance) P-C4' energy: -86.442
flat angles C4'-P-C4' energy: -88.676
flat angles P-C4'-P energy: -51.713
tors. eta vs tors. theta energy: -75.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -825.832159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.832159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.832159 (E_RNA)
where:
Base-Base interactions energy: -507.434
where: short stacking energy: -230.492
Base-Backbone interact. energy: 1.839
local terms energy: -320.237171
where:
bonds (distance) C4'-P energy: -70.043
bonds (distance) P-C4' energy: -88.877
flat angles C4'-P-C4' energy: -89.702
flat angles P-C4'-P energy: -51.630
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -634.963107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.963107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.963107 (E_RNA)
where:
Base-Base interactions energy: -358.689
where: short stacking energy: -194.213
Base-Backbone interact. energy: 0.092
local terms energy: -276.366276
where:
bonds (distance) C4'-P energy: -64.882
bonds (distance) P-C4' energy: -89.787
flat angles C4'-P-C4' energy: -81.933
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1829.220859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.220859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.220859 (E_RNA)
where:
Base-Base interactions energy: -1270.741
where: short stacking energy: -534.804
Base-Backbone interact. energy: -4.093
local terms energy: -554.387534
where:
bonds (distance) C4'-P energy: -104.090
bonds (distance) P-C4' energy: -111.032
flat angles C4'-P-C4' energy: -109.675
flat angles P-C4'-P energy: -83.860
tors. eta vs tors. theta energy: -145.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1795.309763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.309763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.309763 (E_RNA)
where:
Base-Base interactions energy: -1242.642
where: short stacking energy: -515.620
Base-Backbone interact. energy: 3.417
local terms energy: -556.084836
where:
bonds (distance) C4'-P energy: -100.746
bonds (distance) P-C4' energy: -112.245
flat angles C4'-P-C4' energy: -120.851
flat angles P-C4'-P energy: -84.494
tors. eta vs tors. theta energy: -137.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1729.515969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.515969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.515969 (E_RNA)
where:
Base-Base interactions energy: -1218.773
where: short stacking energy: -465.843
Base-Backbone interact. energy: -3.390
local terms energy: -507.352910
where:
bonds (distance) C4'-P energy: -94.947
bonds (distance) P-C4' energy: -106.416
flat angles C4'-P-C4' energy: -118.575
flat angles P-C4'-P energy: -63.132
tors. eta vs tors. theta energy: -124.283
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: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1676.450717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.450717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.450717 (E_RNA)
where:
Base-Base interactions energy: -1168.020
where: short stacking energy: -499.809
Base-Backbone interact. energy: -0.543
local terms energy: -507.887261
where:
bonds (distance) C4'-P energy: -85.651
bonds (distance) P-C4' energy: -97.479
flat angles C4'-P-C4' energy: -108.561
flat angles P-C4'-P energy: -82.159
tors. eta vs tors. theta energy: -134.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1506.751423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.751423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.751423 (E_RNA)
where:
Base-Base interactions energy: -1069.136
where: short stacking energy: -431.685
Base-Backbone interact. energy: -1.852
local terms energy: -435.763225
where:
bonds (distance) C4'-P energy: -93.555
bonds (distance) P-C4' energy: -91.648
flat angles C4'-P-C4' energy: -95.518
flat angles P-C4'-P energy: -42.400
tors. eta vs tors. theta energy: -112.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1405.171160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.171160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.171160 (E_RNA)
where:
Base-Base interactions energy: -948.781
where: short stacking energy: -390.914
Base-Backbone interact. energy: -2.116
local terms energy: -454.273355
where:
bonds (distance) C4'-P energy: -94.462
bonds (distance) P-C4' energy: -86.913
flat angles C4'-P-C4' energy: -100.004
flat angles P-C4'-P energy: -67.290
tors. eta vs tors. theta energy: -105.605
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: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1362.793451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.793451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.793451 (E_RNA)
where:
Base-Base interactions energy: -941.032
where: short stacking energy: -390.940
Base-Backbone interact. energy: 1.252
local terms energy: -423.013359
where:
bonds (distance) C4'-P energy: -101.721
bonds (distance) P-C4' energy: -87.272
flat angles C4'-P-C4' energy: -90.066
flat angles P-C4'-P energy: -54.284
tors. eta vs tors. theta energy: -89.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1225.688495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.688495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.688495 (E_RNA)
where:
Base-Base interactions energy: -847.907
where: short stacking energy: -345.477
Base-Backbone interact. energy: 7.543
local terms energy: -385.324838
where:
bonds (distance) C4'-P energy: -79.250
bonds (distance) P-C4' energy: -76.086
flat angles C4'-P-C4' energy: -90.406
flat angles P-C4'-P energy: -61.994
tors. eta vs tors. theta energy: -77.589
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: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -852.222700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.222700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.222700 (E_RNA)
where:
Base-Base interactions energy: -531.165
where: short stacking energy: -234.568
Base-Backbone interact. energy: 0.379
local terms energy: -321.436364
where:
bonds (distance) C4'-P energy: -68.940
bonds (distance) P-C4' energy: -91.836
flat angles C4'-P-C4' energy: -79.275
flat angles P-C4'-P energy: -45.689
tors. eta vs tors. theta energy: -35.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -655.753937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.753937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.753937 (E_RNA)
where:
Base-Base interactions energy: -372.643
where: short stacking energy: -180.087
Base-Backbone interact. energy: 5.379
local terms energy: -288.489721
where:
bonds (distance) C4'-P energy: -74.003
bonds (distance) P-C4' energy: -75.754
flat angles C4'-P-C4' energy: -76.205
flat angles P-C4'-P energy: -50.161
tors. eta vs tors. theta energy: -12.366
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: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1852.422395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.422395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.422395 (E_RNA)
where:
Base-Base interactions energy: -1292.556
where: short stacking energy: -520.312
Base-Backbone interact. energy: -5.854
local terms energy: -554.012259
where:
bonds (distance) C4'-P energy: -106.120
bonds (distance) P-C4' energy: -104.565
flat angles C4'-P-C4' energy: -117.547
flat angles P-C4'-P energy: -83.309
tors. eta vs tors. theta energy: -142.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1827.056634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.056634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.056634 (E_RNA)
where:
Base-Base interactions energy: -1301.646
where: short stacking energy: -517.511
Base-Backbone interact. energy: -3.644
local terms energy: -521.766591
where:
bonds (distance) C4'-P energy: -103.701
bonds (distance) P-C4' energy: -97.209
flat angles C4'-P-C4' energy: -114.666
flat angles P-C4'-P energy: -66.038
tors. eta vs tors. theta energy: -140.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1705.155182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.155182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.155182 (E_RNA)
where:
Base-Base interactions energy: -1222.093
where: short stacking energy: -470.871
Base-Backbone interact. energy: 0.469
local terms energy: -483.530277
where:
bonds (distance) C4'-P energy: -95.957
bonds (distance) P-C4' energy: -102.651
flat angles C4'-P-C4' energy: -99.484
flat angles P-C4'-P energy: -57.315
tors. eta vs tors. theta energy: -128.123
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: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1655.211475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.211475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.211475 (E_RNA)
where:
Base-Base interactions energy: -1165.282
where: short stacking energy: -497.573
Base-Backbone interact. energy: 0.011
local terms energy: -489.940314
where:
bonds (distance) C4'-P energy: -81.480
bonds (distance) P-C4' energy: -100.583
flat angles C4'-P-C4' energy: -112.499
flat angles P-C4'-P energy: -59.384
tors. eta vs tors. theta energy: -135.994
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: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1522.044598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.044598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.044598 (E_RNA)
where:
Base-Base interactions energy: -1064.919
where: short stacking energy: -437.007
Base-Backbone interact. energy: -0.318
local terms energy: -456.807585
where:
bonds (distance) C4'-P energy: -81.355
bonds (distance) P-C4' energy: -90.393
flat angles C4'-P-C4' energy: -102.626
flat angles P-C4'-P energy: -68.910
tors. eta vs tors. theta energy: -113.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1354.992302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.992302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.992302 (E_RNA)
where:
Base-Base interactions energy: -928.956
where: short stacking energy: -377.757
Base-Backbone interact. energy: -1.416
local terms energy: -424.620618
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -84.663
flat angles C4'-P-C4' energy: -110.193
flat angles P-C4'-P energy: -61.263
tors. eta vs tors. theta energy: -91.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1373.916947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.916947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.916947 (E_RNA)
where:
Base-Base interactions energy: -948.397
where: short stacking energy: -376.688
Base-Backbone interact. energy: -2.801
local terms energy: -422.719015
where:
bonds (distance) C4'-P energy: -83.573
bonds (distance) P-C4' energy: -85.103
flat angles C4'-P-C4' energy: -92.441
flat angles P-C4'-P energy: -67.805
tors. eta vs tors. theta energy: -93.797
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: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1265.293034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.293034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.293034 (E_RNA)
where:
Base-Base interactions energy: -884.923
where: short stacking energy: -348.378
Base-Backbone interact. energy: 0.274
local terms energy: -380.643891
where:
bonds (distance) C4'-P energy: -78.232
bonds (distance) P-C4' energy: -84.773
flat angles C4'-P-C4' energy: -80.053
flat angles P-C4'-P energy: -60.000
tors. eta vs tors. theta energy: -77.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -855.899092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.899092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.899092 (E_RNA)
where:
Base-Base interactions energy: -514.284
where: short stacking energy: -249.804
Base-Backbone interact. energy: 2.020
local terms energy: -343.635432
where:
bonds (distance) C4'-P energy: -84.415
bonds (distance) P-C4' energy: -84.684
flat angles C4'-P-C4' energy: -92.364
flat angles P-C4'-P energy: -51.670
tors. eta vs tors. theta energy: -30.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -627.804470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.804470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.804470 (E_RNA)
where:
Base-Base interactions energy: -328.062
where: short stacking energy: -168.502
Base-Backbone interact. energy: 5.210
local terms energy: -304.952400
where:
bonds (distance) C4'-P energy: -71.949
bonds (distance) P-C4' energy: -89.152
flat angles C4'-P-C4' energy: -86.972
flat angles P-C4'-P energy: -55.187
tors. eta vs tors. theta energy: -1.692
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: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1843.964525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.964525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.964525 (E_RNA)
where:
Base-Base interactions energy: -1333.204
where: short stacking energy: -523.471
Base-Backbone interact. energy: -4.760
local terms energy: -506.000166
where:
bonds (distance) C4'-P energy: -94.787
bonds (distance) P-C4' energy: -98.357
flat angles C4'-P-C4' energy: -106.968
flat angles P-C4'-P energy: -63.159
tors. eta vs tors. theta energy: -142.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1803.446022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.446022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.446022 (E_RNA)
where:
Base-Base interactions energy: -1264.953
where: short stacking energy: -506.592
Base-Backbone interact. energy: -2.964
local terms energy: -535.528236
where:
bonds (distance) C4'-P energy: -98.344
bonds (distance) P-C4' energy: -96.596
flat angles C4'-P-C4' energy: -122.360
flat angles P-C4'-P energy: -76.826
tors. eta vs tors. theta energy: -141.402
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: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1691.916318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.916318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.916318 (E_RNA)
where:
Base-Base interactions energy: -1204.796
where: short stacking energy: -471.328
Base-Backbone interact. energy: -2.132
local terms energy: -484.988765
where:
bonds (distance) C4'-P energy: -90.918
bonds (distance) P-C4' energy: -86.347
flat angles C4'-P-C4' energy: -115.094
flat angles P-C4'-P energy: -78.239
tors. eta vs tors. theta energy: -114.391
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: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1633.326645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.326645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.326645 (E_RNA)
where:
Base-Base interactions energy: -1154.822
where: short stacking energy: -473.210
Base-Backbone interact. energy: -1.712
local terms energy: -476.793471
where:
bonds (distance) C4'-P energy: -87.888
bonds (distance) P-C4' energy: -97.212
flat angles C4'-P-C4' energy: -105.074
flat angles P-C4'-P energy: -61.770
tors. eta vs tors. theta energy: -124.850
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: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1536.217252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.217252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.217252 (E_RNA)
where:
Base-Base interactions energy: -1087.086
where: short stacking energy: -454.570
Base-Backbone interact. energy: -1.609
local terms energy: -447.521949
where:
bonds (distance) C4'-P energy: -84.819
bonds (distance) P-C4' energy: -93.548
flat angles C4'-P-C4' energy: -96.125
flat angles P-C4'-P energy: -62.055
tors. eta vs tors. theta energy: -110.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1441.850407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.850407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.850407 (E_RNA)
where:
Base-Base interactions energy: -983.146
where: short stacking energy: -392.244
Base-Backbone interact. energy: 0.497
local terms energy: -459.201630
where:
bonds (distance) C4'-P energy: -87.339
bonds (distance) P-C4' energy: -96.296
flat angles C4'-P-C4' energy: -99.692
flat angles P-C4'-P energy: -74.413
tors. eta vs tors. theta energy: -101.463
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: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1373.532207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.532207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.532207 (E_RNA)
where:
Base-Base interactions energy: -925.022
where: short stacking energy: -398.822
Base-Backbone interact. energy: -0.961
local terms energy: -447.548913
where:
bonds (distance) C4'-P energy: -84.963
bonds (distance) P-C4' energy: -98.468
flat angles C4'-P-C4' energy: -106.386
flat angles P-C4'-P energy: -54.333
tors. eta vs tors. theta energy: -103.399
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: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1263.600175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.600175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.600175 (E_RNA)
where:
Base-Base interactions energy: -901.201
where: short stacking energy: -359.909
Base-Backbone interact. energy: 0.130
local terms energy: -362.529481
where:
bonds (distance) C4'-P energy: -66.668
bonds (distance) P-C4' energy: -87.943
flat angles C4'-P-C4' energy: -88.618
flat angles P-C4'-P energy: -52.029
tors. eta vs tors. theta energy: -67.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -842.817030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.817030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.817030 (E_RNA)
where:
Base-Base interactions energy: -474.543
where: short stacking energy: -230.534
Base-Backbone interact. energy: -0.882
local terms energy: -367.391863
where:
bonds (distance) C4'-P energy: -89.708
bonds (distance) P-C4' energy: -84.307
flat angles C4'-P-C4' energy: -85.637
flat angles P-C4'-P energy: -50.440
tors. eta vs tors. theta energy: -57.300
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: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -654.765900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.765900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.765900 (E_RNA)
where:
Base-Base interactions energy: -343.917
where: short stacking energy: -188.228
Base-Backbone interact. energy: -1.620
local terms energy: -309.228424
where:
bonds (distance) C4'-P energy: -73.677
bonds (distance) P-C4' energy: -94.825
flat angles C4'-P-C4' energy: -76.121
flat angles P-C4'-P energy: -47.973
tors. eta vs tors. theta energy: -16.633
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: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1826.032974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.032974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.032974 (E_RNA)
where:
Base-Base interactions energy: -1293.294
where: short stacking energy: -496.164
Base-Backbone interact. energy: -1.563
local terms energy: -531.175576
where:
bonds (distance) C4'-P energy: -102.476
bonds (distance) P-C4' energy: -103.673
flat angles C4'-P-C4' energy: -117.753
flat angles P-C4'-P energy: -67.967
tors. eta vs tors. theta energy: -139.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1788.637043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.637043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.637043 (E_RNA)
where:
Base-Base interactions energy: -1258.487
where: short stacking energy: -514.329
Base-Backbone interact. energy: -4.708
local terms energy: -525.441376
where:
bonds (distance) C4'-P energy: -105.002
bonds (distance) P-C4' energy: -86.025
flat angles C4'-P-C4' energy: -118.829
flat angles P-C4'-P energy: -70.668
tors. eta vs tors. theta energy: -144.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1725.741364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.741364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.741364 (E_RNA)
where:
Base-Base interactions energy: -1219.451
where: short stacking energy: -496.757
Base-Backbone interact. energy: -0.360
local terms energy: -505.930428
where:
bonds (distance) C4'-P energy: -96.152
bonds (distance) P-C4' energy: -87.084
flat angles C4'-P-C4' energy: -118.296
flat angles P-C4'-P energy: -69.631
tors. eta vs tors. theta energy: -134.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1684.903397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.903397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.903397 (E_RNA)
where:
Base-Base interactions energy: -1223.939
where: short stacking energy: -472.600
Base-Backbone interact. energy: -2.314
local terms energy: -458.650823
where:
bonds (distance) C4'-P energy: -89.501
bonds (distance) P-C4' energy: -100.237
flat angles C4'-P-C4' energy: -85.921
flat angles P-C4'-P energy: -59.045
tors. eta vs tors. theta energy: -123.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1537.734737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.734737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.734737 (E_RNA)
where:
Base-Base interactions energy: -1071.972
where: short stacking energy: -436.191
Base-Backbone interact. energy: -1.298
local terms energy: -464.464606
where:
bonds (distance) C4'-P energy: -94.485
bonds (distance) P-C4' energy: -94.324
flat angles C4'-P-C4' energy: -96.293
flat angles P-C4'-P energy: -63.176
tors. eta vs tors. theta energy: -116.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1428.810357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.810357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.810357 (E_RNA)
where:
Base-Base interactions energy: -993.890
where: short stacking energy: -390.006
Base-Backbone interact. energy: -2.379
local terms energy: -432.541194
where:
bonds (distance) C4'-P energy: -83.534
bonds (distance) P-C4' energy: -86.732
flat angles C4'-P-C4' energy: -99.303
flat angles P-C4'-P energy: -69.504
tors. eta vs tors. theta energy: -93.468
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: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1302.074578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.074578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.074578 (E_RNA)
where:
Base-Base interactions energy: -877.993
where: short stacking energy: -365.900
Base-Backbone interact. energy: 1.021
local terms energy: -425.101817
where:
bonds (distance) C4'-P energy: -81.797
bonds (distance) P-C4' energy: -101.413
flat angles C4'-P-C4' energy: -91.374
flat angles P-C4'-P energy: -64.374
tors. eta vs tors. theta energy: -86.143
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: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1215.407732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.407732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.407732 (E_RNA)
where:
Base-Base interactions energy: -798.620
where: short stacking energy: -322.764
Base-Backbone interact. energy: -3.237
local terms energy: -413.550289
where:
bonds (distance) C4'-P energy: -88.875
bonds (distance) P-C4' energy: -93.694
flat angles C4'-P-C4' energy: -98.329
flat angles P-C4'-P energy: -73.488
tors. eta vs tors. theta energy: -59.164
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: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -869.603961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.603961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.603961 (E_RNA)
where:
Base-Base interactions energy: -563.802
where: short stacking energy: -261.750
Base-Backbone interact. energy: -0.369
local terms energy: -305.433217
where:
bonds (distance) C4'-P energy: -75.033
bonds (distance) P-C4' energy: -79.871
flat angles C4'-P-C4' energy: -79.110
flat angles P-C4'-P energy: -42.157
tors. eta vs tors. theta energy: -29.264
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: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -622.329873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.329873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.329873 (E_RNA)
where:
Base-Base interactions energy: -325.221
where: short stacking energy: -166.362
Base-Backbone interact. energy: -1.493
local terms energy: -295.616396
where:
bonds (distance) C4'-P energy: -99.687
bonds (distance) P-C4' energy: -84.284
flat angles C4'-P-C4' energy: -59.732
flat angles P-C4'-P energy: -33.553
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1824.532505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.532505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.532505 (E_RNA)
where:
Base-Base interactions energy: -1304.755
where: short stacking energy: -508.572
Base-Backbone interact. energy: -0.283
local terms energy: -519.494640
where:
bonds (distance) C4'-P energy: -103.437
bonds (distance) P-C4' energy: -97.813
flat angles C4'-P-C4' energy: -117.186
flat angles P-C4'-P energy: -70.940
tors. eta vs tors. theta energy: -130.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1797.995631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.995631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.995631 (E_RNA)
where:
Base-Base interactions energy: -1279.195
where: short stacking energy: -524.888
Base-Backbone interact. energy: -3.884
local terms energy: -514.916698
where:
bonds (distance) C4'-P energy: -79.293
bonds (distance) P-C4' energy: -106.761
flat angles C4'-P-C4' energy: -109.684
flat angles P-C4'-P energy: -78.486
tors. eta vs tors. theta energy: -140.694
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: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1698.941391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.941391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.941391 (E_RNA)
where:
Base-Base interactions energy: -1175.041
where: short stacking energy: -492.717
Base-Backbone interact. energy: 2.677
local terms energy: -526.577045
where:
bonds (distance) C4'-P energy: -93.533
bonds (distance) P-C4' energy: -98.284
flat angles C4'-P-C4' energy: -114.389
flat angles P-C4'-P energy: -82.717
tors. eta vs tors. theta energy: -137.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1670.017190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.017190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.017190 (E_RNA)
where:
Base-Base interactions energy: -1186.977
where: short stacking energy: -446.005
Base-Backbone interact. energy: -1.838
local terms energy: -481.201572
where:
bonds (distance) C4'-P energy: -93.587
bonds (distance) P-C4' energy: -86.060
flat angles C4'-P-C4' energy: -102.730
flat angles P-C4'-P energy: -73.691
tors. eta vs tors. theta energy: -125.134
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: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1516.629894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.629894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.629894 (E_RNA)
where:
Base-Base interactions energy: -1043.358
where: short stacking energy: -433.678
Base-Backbone interact. energy: -0.089
local terms energy: -473.183285
where:
bonds (distance) C4'-P energy: -74.251
bonds (distance) P-C4' energy: -95.955
flat angles C4'-P-C4' energy: -107.510
flat angles P-C4'-P energy: -76.506
tors. eta vs tors. theta energy: -118.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1353.849386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.849386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.849386 (E_RNA)
where:
Base-Base interactions energy: -884.437
where: short stacking energy: -367.873
Base-Backbone interact. energy: 1.009
local terms energy: -470.421063
where:
bonds (distance) C4'-P energy: -90.076
bonds (distance) P-C4' energy: -105.440
flat angles C4'-P-C4' energy: -103.399
flat angles P-C4'-P energy: -64.652
tors. eta vs tors. theta energy: -106.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1337.153496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.153496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.153496 (E_RNA)
where:
Base-Base interactions energy: -908.798
where: short stacking energy: -400.203
Base-Backbone interact. energy: -2.949
local terms energy: -425.406283
where:
bonds (distance) C4'-P energy: -61.955
bonds (distance) P-C4' energy: -93.725
flat angles C4'-P-C4' energy: -92.738
flat angles P-C4'-P energy: -72.413
tors. eta vs tors. theta energy: -104.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1186.314693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.314693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.314693 (E_RNA)
where:
Base-Base interactions energy: -795.680
where: short stacking energy: -322.053
Base-Backbone interact. energy: -1.360
local terms energy: -389.274922
where:
bonds (distance) C4'-P energy: -83.618
bonds (distance) P-C4' energy: -90.977
flat angles C4'-P-C4' energy: -92.543
flat angles P-C4'-P energy: -60.401
tors. eta vs tors. theta energy: -61.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -879.721764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.721764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.721764 (E_RNA)
where:
Base-Base interactions energy: -539.306
where: short stacking energy: -262.945
Base-Backbone interact. energy: -1.162
local terms energy: -339.253426
where:
bonds (distance) C4'-P energy: -67.587
bonds (distance) P-C4' energy: -89.261
flat angles C4'-P-C4' energy: -90.399
flat angles P-C4'-P energy: -51.582
tors. eta vs tors. theta energy: -40.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -601.738950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.738950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.738950 (E_RNA)
where:
Base-Base interactions energy: -330.313
where: short stacking energy: -183.913
Base-Backbone interact. energy: -1.247
local terms energy: -270.179390
where:
bonds (distance) C4'-P energy: -80.385
bonds (distance) P-C4' energy: -87.592
flat angles C4'-P-C4' energy: -70.755
flat angles P-C4'-P energy: -26.854
tors. eta vs tors. theta energy: -4.594
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: 344
Temperature: 0.900000
Total energy: -1854.666799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.666799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.666799 (E_RNA)
where:
Base-Base interactions energy: -1304.953
where: short stacking energy: -524.773
Base-Backbone interact. energy: -5.257
local terms energy: -544.456837
where:
bonds (distance) C4'-P energy: -104.167
bonds (distance) P-C4' energy: -91.204
flat angles C4'-P-C4' energy: -122.816
flat angles P-C4'-P energy: -82.424
tors. eta vs tors. theta energy: -143.846
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: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1803.476778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.476778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.476778 (E_RNA)
where:
Base-Base interactions energy: -1284.862
where: short stacking energy: -500.925
Base-Backbone interact. energy: -3.975
local terms energy: -514.640078
where:
bonds (distance) C4'-P energy: -97.676
bonds (distance) P-C4' energy: -100.068
flat angles C4'-P-C4' energy: -116.454
flat angles P-C4'-P energy: -70.911
tors. eta vs tors. theta energy: -129.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1717.442697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.442697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.442697 (E_RNA)
where:
Base-Base interactions energy: -1208.319
where: short stacking energy: -447.782
Base-Backbone interact. energy: -1.616
local terms energy: -507.508014
where:
bonds (distance) C4'-P energy: -91.290
bonds (distance) P-C4' energy: -110.408
flat angles C4'-P-C4' energy: -112.609
flat angles P-C4'-P energy: -72.859
tors. eta vs tors. theta energy: -120.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1687.744995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.744995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.744995 (E_RNA)
where:
Base-Base interactions energy: -1180.423
where: short stacking energy: -483.159
Base-Backbone interact. energy: -0.263
local terms energy: -507.058801
where:
bonds (distance) C4'-P energy: -98.344
bonds (distance) P-C4' energy: -98.461
flat angles C4'-P-C4' energy: -105.792
flat angles P-C4'-P energy: -76.986
tors. eta vs tors. theta energy: -127.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1546.094514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.094514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.094514 (E_RNA)
where:
Base-Base interactions energy: -1080.043
where: short stacking energy: -454.127
Base-Backbone interact. energy: -2.080
local terms energy: -463.971140
where:
bonds (distance) C4'-P energy: -88.328
bonds (distance) P-C4' energy: -95.972
flat angles C4'-P-C4' energy: -107.292
flat angles P-C4'-P energy: -60.793
tors. eta vs tors. theta energy: -111.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1399.634475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.634475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.634475 (E_RNA)
where:
Base-Base interactions energy: -957.563
where: short stacking energy: -402.120
Base-Backbone interact. energy: -1.034
local terms energy: -441.037870
where:
bonds (distance) C4'-P energy: -76.099
bonds (distance) P-C4' energy: -83.540
flat angles C4'-P-C4' energy: -102.736
flat angles P-C4'-P energy: -67.567
tors. eta vs tors. theta energy: -111.096
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: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1340.817639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.817639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.817639 (E_RNA)
where:
Base-Base interactions energy: -904.352
where: short stacking energy: -404.374
Base-Backbone interact. energy: -1.372
local terms energy: -435.094138
where:
bonds (distance) C4'-P energy: -90.804
bonds (distance) P-C4' energy: -92.407
flat angles C4'-P-C4' energy: -99.063
flat angles P-C4'-P energy: -53.593
tors. eta vs tors. theta energy: -99.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1196.676588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.676588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.676588 (E_RNA)
where:
Base-Base interactions energy: -842.941
where: short stacking energy: -352.207
Base-Backbone interact. energy: -3.012
local terms energy: -350.723061
where:
bonds (distance) C4'-P energy: -66.494
bonds (distance) P-C4' energy: -83.799
flat angles C4'-P-C4' energy: -85.122
flat angles P-C4'-P energy: -50.798
tors. eta vs tors. theta energy: -64.510
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: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -885.585624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.585624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.585624 (E_RNA)
where:
Base-Base interactions energy: -531.563
where: short stacking energy: -249.672
Base-Backbone interact. energy: 0.961
local terms energy: -354.983918
where:
bonds (distance) C4'-P energy: -91.866
bonds (distance) P-C4' energy: -90.751
flat angles C4'-P-C4' energy: -89.563
flat angles P-C4'-P energy: -54.586
tors. eta vs tors. theta energy: -28.217
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: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -637.571804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.571804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.571804 (E_RNA)
where:
Base-Base interactions energy: -326.128
where: short stacking energy: -173.140
Base-Backbone interact. energy: -1.284
local terms energy: -310.159951
where:
bonds (distance) C4'-P energy: -98.331
bonds (distance) P-C4' energy: -80.211
flat angles C4'-P-C4' energy: -67.057
flat angles P-C4'-P energy: -63.680
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1854.874959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.874959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.874959 (E_RNA)
where:
Base-Base interactions energy: -1330.938
where: short stacking energy: -514.070
Base-Backbone interact. energy: 4.669
local terms energy: -528.606177
where:
bonds (distance) C4'-P energy: -94.240
bonds (distance) P-C4' energy: -106.614
flat angles C4'-P-C4' energy: -111.273
flat angles P-C4'-P energy: -76.833
tors. eta vs tors. theta energy: -139.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1813.331787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.331787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.331787 (E_RNA)
where:
Base-Base interactions energy: -1267.113
where: short stacking energy: -498.644
Base-Backbone interact. energy: -5.715
local terms energy: -540.503325
where:
bonds (distance) C4'-P energy: -110.490
bonds (distance) P-C4' energy: -95.162
flat angles C4'-P-C4' energy: -118.439
flat angles P-C4'-P energy: -83.152
tors. eta vs tors. theta energy: -133.260
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: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1719.270338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.270338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.270338 (E_RNA)
where:
Base-Base interactions energy: -1217.422
where: short stacking energy: -473.071
Base-Backbone interact. energy: 4.505
local terms energy: -506.353168
where:
bonds (distance) C4'-P energy: -94.832
bonds (distance) P-C4' energy: -98.523
flat angles C4'-P-C4' energy: -114.928
flat angles P-C4'-P energy: -78.672
tors. eta vs tors. theta energy: -119.398
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: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1679.231590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.231590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.231590 (E_RNA)
where:
Base-Base interactions energy: -1193.079
where: short stacking energy: -471.821
Base-Backbone interact. energy: 0.015
local terms energy: -486.168134
where:
bonds (distance) C4'-P energy: -92.129
bonds (distance) P-C4' energy: -86.792
flat angles C4'-P-C4' energy: -97.522
flat angles P-C4'-P energy: -68.581
tors. eta vs tors. theta energy: -141.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1521.521422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.521422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.521422 (E_RNA)
where:
Base-Base interactions energy: -1053.183
where: short stacking energy: -411.194
Base-Backbone interact. energy: -6.092
local terms energy: -462.246243
where:
bonds (distance) C4'-P energy: -85.116
bonds (distance) P-C4' energy: -97.851
flat angles C4'-P-C4' energy: -103.799
flat angles P-C4'-P energy: -64.760
tors. eta vs tors. theta energy: -110.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1384.657097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.657097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.657097 (E_RNA)
where:
Base-Base interactions energy: -945.800
where: short stacking energy: -412.329
Base-Backbone interact. energy: 4.947
local terms energy: -443.803881
where:
bonds (distance) C4'-P energy: -86.587
bonds (distance) P-C4' energy: -98.322
flat angles C4'-P-C4' energy: -88.003
flat angles P-C4'-P energy: -68.425
tors. eta vs tors. theta energy: -102.466
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: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1320.583540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.583540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.583540 (E_RNA)
where:
Base-Base interactions energy: -915.712
where: short stacking energy: -396.048
Base-Backbone interact. energy: -1.794
local terms energy: -403.076927
where:
bonds (distance) C4'-P energy: -79.096
bonds (distance) P-C4' energy: -75.552
flat angles C4'-P-C4' energy: -92.078
flat angles P-C4'-P energy: -61.432
tors. eta vs tors. theta energy: -94.919
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: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1185.168237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.168237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.168237 (E_RNA)
where:
Base-Base interactions energy: -810.889
where: short stacking energy: -339.319
Base-Backbone interact. energy: -2.956
local terms energy: -371.323511
where:
bonds (distance) C4'-P energy: -68.698
bonds (distance) P-C4' energy: -89.957
flat angles C4'-P-C4' energy: -91.150
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: -79.589
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: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -874.482694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.482694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.482694 (E_RNA)
where:
Base-Base interactions energy: -554.018
where: short stacking energy: -275.636
Base-Backbone interact. energy: -1.566
local terms energy: -318.898726
where:
bonds (distance) C4'-P energy: -79.404
bonds (distance) P-C4' energy: -76.561
flat angles C4'-P-C4' energy: -70.024
flat angles P-C4'-P energy: -43.781
tors. eta vs tors. theta energy: -49.130
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: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -641.543027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.543027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.543027 (E_RNA)
where:
Base-Base interactions energy: -337.404
where: short stacking energy: -199.937
Base-Backbone interact. energy: -3.600
local terms energy: -300.539282
where:
bonds (distance) C4'-P energy: -82.822
bonds (distance) P-C4' energy: -82.853
flat angles C4'-P-C4' energy: -75.631
flat angles P-C4'-P energy: -40.821
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: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1813.517477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.517477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.517477 (E_RNA)
where:
Base-Base interactions energy: -1282.825
where: short stacking energy: -513.517
Base-Backbone interact. energy: -2.325
local terms energy: -528.368316
where:
bonds (distance) C4'-P energy: -101.833
bonds (distance) P-C4' energy: -107.060
flat angles C4'-P-C4' energy: -118.052
flat angles P-C4'-P energy: -67.379
tors. eta vs tors. theta energy: -134.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1786.234776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.234776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.234776 (E_RNA)
where:
Base-Base interactions energy: -1262.898
where: short stacking energy: -499.887
Base-Backbone interact. energy: -5.709
local terms energy: -517.627849
where:
bonds (distance) C4'-P energy: -97.447
bonds (distance) P-C4' energy: -92.637
flat angles C4'-P-C4' energy: -119.375
flat angles P-C4'-P energy: -72.135
tors. eta vs tors. theta energy: -136.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1675.181358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.181358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.181358 (E_RNA)
where:
Base-Base interactions energy: -1202.575
where: short stacking energy: -472.476
Base-Backbone interact. energy: -1.379
local terms energy: -471.227186
where:
bonds (distance) C4'-P energy: -83.199
bonds (distance) P-C4' energy: -97.435
flat angles C4'-P-C4' energy: -102.392
flat angles P-C4'-P energy: -73.971
tors. eta vs tors. theta energy: -114.230
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: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1664.712779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.712779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.712779 (E_RNA)
where:
Base-Base interactions energy: -1182.313
where: short stacking energy: -488.844
Base-Backbone interact. energy: -0.263
local terms energy: -482.136959
where:
bonds (distance) C4'-P energy: -86.005
bonds (distance) P-C4' energy: -90.602
flat angles C4'-P-C4' energy: -106.231
flat angles P-C4'-P energy: -62.806
tors. eta vs tors. theta energy: -136.493
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: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1540.388285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.388285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.388285 (E_RNA)
where:
Base-Base interactions energy: -1076.517
where: short stacking energy: -450.448
Base-Backbone interact. energy: -0.265
local terms energy: -463.606328
where:
bonds (distance) C4'-P energy: -82.271
bonds (distance) P-C4' energy: -92.397
flat angles C4'-P-C4' energy: -111.457
flat angles P-C4'-P energy: -71.365
tors. eta vs tors. theta energy: -106.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1436.230299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.230299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.230299 (E_RNA)
where:
Base-Base interactions energy: -998.881
where: short stacking energy: -407.594
Base-Backbone interact. energy: -1.881
local terms energy: -435.467491
where:
bonds (distance) C4'-P energy: -84.475
bonds (distance) P-C4' energy: -78.568
flat angles C4'-P-C4' energy: -98.391
flat angles P-C4'-P energy: -68.439
tors. eta vs tors. theta energy: -105.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1352.051571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.051571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.051571 (E_RNA)
where:
Base-Base interactions energy: -923.091
where: short stacking energy: -395.041
Base-Backbone interact. energy: -1.091
local terms energy: -427.870022
where:
bonds (distance) C4'-P energy: -83.796
bonds (distance) P-C4' energy: -83.867
flat angles C4'-P-C4' energy: -94.423
flat angles P-C4'-P energy: -58.800
tors. eta vs tors. theta energy: -106.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1199.425787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.425787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.425787 (E_RNA)
where:
Base-Base interactions energy: -820.579
where: short stacking energy: -335.476
Base-Backbone interact. energy: 0.895
local terms energy: -379.741596
where:
bonds (distance) C4'-P energy: -81.331
bonds (distance) P-C4' energy: -76.950
flat angles C4'-P-C4' energy: -83.526
flat angles P-C4'-P energy: -53.702
tors. eta vs tors. theta energy: -84.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -861.720723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.720723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.720723 (E_RNA)
where:
Base-Base interactions energy: -517.710
where: short stacking energy: -254.027
Base-Backbone interact. energy: 2.024
local terms energy: -346.034785
where:
bonds (distance) C4'-P energy: -92.407
bonds (distance) P-C4' energy: -80.106
flat angles C4'-P-C4' energy: -90.120
flat angles P-C4'-P energy: -43.684
tors. eta vs tors. theta energy: -39.718
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: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -600.152489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.152489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.152489 (E_RNA)
where:
Base-Base interactions energy: -299.948
where: short stacking energy: -169.066
Base-Backbone interact. energy: 2.718
local terms energy: -302.922721
where:
bonds (distance) C4'-P energy: -76.822
bonds (distance) P-C4' energy: -79.214
flat angles C4'-P-C4' energy: -94.242
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1863.503357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.503357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.503357 (E_RNA)
where:
Base-Base interactions energy: -1305.638
where: short stacking energy: -508.677
Base-Backbone interact. energy: -8.227
local terms energy: -549.638285
where:
bonds (distance) C4'-P energy: -97.730
bonds (distance) P-C4' energy: -104.166
flat angles C4'-P-C4' energy: -119.260
flat angles P-C4'-P energy: -86.782
tors. eta vs tors. theta energy: -141.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1800.829207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.829207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.829207 (E_RNA)
where:
Base-Base interactions energy: -1275.119
where: short stacking energy: -503.171
Base-Backbone interact. energy: -4.545
local terms energy: -521.165421
where:
bonds (distance) C4'-P energy: -90.558
bonds (distance) P-C4' energy: -88.484
flat angles C4'-P-C4' energy: -117.736
flat angles P-C4'-P energy: -80.548
tors. eta vs tors. theta energy: -143.840
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: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1689.464275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.464275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.464275 (E_RNA)
where:
Base-Base interactions energy: -1201.418
where: short stacking energy: -489.684
Base-Backbone interact. energy: -2.834
local terms energy: -485.212238
where:
bonds (distance) C4'-P energy: -96.588
bonds (distance) P-C4' energy: -96.152
flat angles C4'-P-C4' energy: -111.084
flat angles P-C4'-P energy: -57.772
tors. eta vs tors. theta energy: -123.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1650.815387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.815387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.815387 (E_RNA)
where:
Base-Base interactions energy: -1136.937
where: short stacking energy: -463.005
Base-Backbone interact. energy: 0.101
local terms energy: -513.978986
where:
bonds (distance) C4'-P energy: -94.021
bonds (distance) P-C4' energy: -91.435
flat angles C4'-P-C4' energy: -117.869
flat angles P-C4'-P energy: -78.184
tors. eta vs tors. theta energy: -132.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1562.629775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.629775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.629775 (E_RNA)
where:
Base-Base interactions energy: -1108.205
where: short stacking energy: -441.978
Base-Backbone interact. energy: -2.058
local terms energy: -452.366488
where:
bonds (distance) C4'-P energy: -93.648
bonds (distance) P-C4' energy: -88.752
flat angles C4'-P-C4' energy: -96.963
flat angles P-C4'-P energy: -62.225
tors. eta vs tors. theta energy: -110.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1387.280552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.280552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.280552 (E_RNA)
where:
Base-Base interactions energy: -946.778
where: short stacking energy: -419.971
Base-Backbone interact. energy: -0.664
local terms energy: -439.838729
where:
bonds (distance) C4'-P energy: -87.284
bonds (distance) P-C4' energy: -88.713
flat angles C4'-P-C4' energy: -93.211
flat angles P-C4'-P energy: -71.753
tors. eta vs tors. theta energy: -98.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1307.473237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.473237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.473237 (E_RNA)
where:
Base-Base interactions energy: -882.701
where: short stacking energy: -378.396
Base-Backbone interact. energy: -0.482
local terms energy: -424.291094
where:
bonds (distance) C4'-P energy: -96.326
bonds (distance) P-C4' energy: -89.856
flat angles C4'-P-C4' energy: -96.146
flat angles P-C4'-P energy: -45.470
tors. eta vs tors. theta energy: -96.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1275.105757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.105757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.105757 (E_RNA)
where:
Base-Base interactions energy: -858.798
where: short stacking energy: -343.916
Base-Backbone interact. energy: -0.810
local terms energy: -415.497881
where:
bonds (distance) C4'-P energy: -76.536
bonds (distance) P-C4' energy: -98.941
flat angles C4'-P-C4' energy: -96.992
flat angles P-C4'-P energy: -57.198
tors. eta vs tors. theta energy: -85.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -826.838046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.838046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.838046 (E_RNA)
where:
Base-Base interactions energy: -502.617
where: short stacking energy: -242.408
Base-Backbone interact. energy: -0.869
local terms energy: -323.352254
where:
bonds (distance) C4'-P energy: -75.555
bonds (distance) P-C4' energy: -87.178
flat angles C4'-P-C4' energy: -82.395
flat angles P-C4'-P energy: -46.936
tors. eta vs tors. theta energy: -31.287
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: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -604.537262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.537262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.537262 (E_RNA)
where:
Base-Base interactions energy: -330.923
where: short stacking energy: -194.264
Base-Backbone interact. energy: -0.526
local terms energy: -273.087356
where:
bonds (distance) C4'-P energy: -81.688
bonds (distance) P-C4' energy: -77.921
flat angles C4'-P-C4' energy: -73.951
flat angles P-C4'-P energy: -38.068
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1867.896094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.896094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.896094 (E_RNA)
where:
Base-Base interactions energy: -1335.914
where: short stacking energy: -539.808
Base-Backbone interact. energy: -3.186
local terms energy: -528.796024
where:
bonds (distance) C4'-P energy: -104.716
bonds (distance) P-C4' energy: -99.363
flat angles C4'-P-C4' energy: -112.201
flat angles P-C4'-P energy: -65.634
tors. eta vs tors. theta energy: -146.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1814.856524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.856524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.856524 (E_RNA)
where:
Base-Base interactions energy: -1295.930
where: short stacking energy: -518.190
Base-Backbone interact. energy: -4.106
local terms energy: -514.820277
where:
bonds (distance) C4'-P energy: -100.934
bonds (distance) P-C4' energy: -95.113
flat angles C4'-P-C4' energy: -113.288
flat angles P-C4'-P energy: -72.198
tors. eta vs tors. theta energy: -133.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1676.995975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.995975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.995975 (E_RNA)
where:
Base-Base interactions energy: -1170.864
where: short stacking energy: -472.746
Base-Backbone interact. energy: -3.574
local terms energy: -502.557679
where:
bonds (distance) C4'-P energy: -93.788
bonds (distance) P-C4' energy: -101.965
flat angles C4'-P-C4' energy: -112.395
flat angles P-C4'-P energy: -65.603
tors. eta vs tors. theta energy: -128.807
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: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1650.255398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.255398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.255398 (E_RNA)
where:
Base-Base interactions energy: -1141.386
where: short stacking energy: -462.406
Base-Backbone interact. energy: -1.467
local terms energy: -507.401840
where:
bonds (distance) C4'-P energy: -87.162
bonds (distance) P-C4' energy: -99.105
flat angles C4'-P-C4' energy: -107.978
flat angles P-C4'-P energy: -82.113
tors. eta vs tors. theta energy: -131.044
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: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1532.555182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.555182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.555182 (E_RNA)
where:
Base-Base interactions energy: -1073.044
where: short stacking energy: -430.483
Base-Backbone interact. energy: -1.085
local terms energy: -458.426112
where:
bonds (distance) C4'-P energy: -93.444
bonds (distance) P-C4' energy: -79.636
flat angles C4'-P-C4' energy: -103.902
flat angles P-C4'-P energy: -71.366
tors. eta vs tors. theta energy: -110.079
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: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1339.130938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.130938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.130938 (E_RNA)
where:
Base-Base interactions energy: -917.077
where: short stacking energy: -400.718
Base-Backbone interact. energy: 3.176
local terms energy: -425.230451
where:
bonds (distance) C4'-P energy: -80.784
bonds (distance) P-C4' energy: -89.655
flat angles C4'-P-C4' energy: -101.977
flat angles P-C4'-P energy: -60.775
tors. eta vs tors. theta energy: -92.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1304.919530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.919530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.919530 (E_RNA)
where:
Base-Base interactions energy: -897.832
where: short stacking energy: -376.082
Base-Backbone interact. energy: -1.863
local terms energy: -405.224365
where:
bonds (distance) C4'-P energy: -85.636
bonds (distance) P-C4' energy: -80.698
flat angles C4'-P-C4' energy: -85.966
flat angles P-C4'-P energy: -57.732
tors. eta vs tors. theta energy: -95.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1225.486867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.486867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.486867 (E_RNA)
where:
Base-Base interactions energy: -828.147
where: short stacking energy: -346.196
Base-Backbone interact. energy: -2.363
local terms energy: -394.976934
where:
bonds (distance) C4'-P energy: -92.633
bonds (distance) P-C4' energy: -100.499
flat angles C4'-P-C4' energy: -89.050
flat angles P-C4'-P energy: -37.796
tors. eta vs tors. theta energy: -74.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -802.885952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.885952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.885952 (E_RNA)
where:
Base-Base interactions energy: -456.928
where: short stacking energy: -219.618
Base-Backbone interact. energy: -0.315
local terms energy: -345.642426
where:
bonds (distance) C4'-P energy: -89.959
bonds (distance) P-C4' energy: -87.649
flat angles C4'-P-C4' energy: -75.218
flat angles P-C4'-P energy: -63.076
tors. eta vs tors. theta energy: -29.740
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: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -520.721147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.721147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.721147 (E_RNA)
where:
Base-Base interactions energy: -258.158
where: short stacking energy: -147.194
Base-Backbone interact. energy: 0.788
local terms energy: -263.351099
where:
bonds (distance) C4'-P energy: -85.178
bonds (distance) P-C4' energy: -94.631
flat angles C4'-P-C4' energy: -68.246
flat angles P-C4'-P energy: -37.885
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: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1844.890102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.890102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.890102 (E_RNA)
where:
Base-Base interactions energy: -1321.728
where: short stacking energy: -532.526
Base-Backbone interact. energy: -4.228
local terms energy: -518.933754
where:
bonds (distance) C4'-P energy: -95.730
bonds (distance) P-C4' energy: -100.099
flat angles C4'-P-C4' energy: -108.219
flat angles P-C4'-P energy: -71.163
tors. eta vs tors. theta energy: -143.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1829.641233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.641233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.641233 (E_RNA)
where:
Base-Base interactions energy: -1298.312
where: short stacking energy: -518.918
Base-Backbone interact. energy: -4.629
local terms energy: -526.700083
where:
bonds (distance) C4'-P energy: -107.943
bonds (distance) P-C4' energy: -84.407
flat angles C4'-P-C4' energy: -112.426
flat angles P-C4'-P energy: -74.372
tors. eta vs tors. theta energy: -147.552
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: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1682.811409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.811409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.811409 (E_RNA)
where:
Base-Base interactions energy: -1188.599
where: short stacking energy: -482.384
Base-Backbone interact. energy: -3.062
local terms energy: -491.150186
where:
bonds (distance) C4'-P energy: -80.071
bonds (distance) P-C4' energy: -88.274
flat angles C4'-P-C4' energy: -110.974
flat angles P-C4'-P energy: -82.723
tors. eta vs tors. theta energy: -129.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1654.811974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.811974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.811974 (E_RNA)
where:
Base-Base interactions energy: -1132.679
where: short stacking energy: -465.141
Base-Backbone interact. energy: -2.431
local terms energy: -519.701966
where:
bonds (distance) C4'-P energy: -97.203
bonds (distance) P-C4' energy: -92.700
flat angles C4'-P-C4' energy: -118.782
flat angles P-C4'-P energy: -73.762
tors. eta vs tors. theta energy: -137.255
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: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1511.474525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.474525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.474525 (E_RNA)
where:
Base-Base interactions energy: -1043.047
where: short stacking energy: -414.281
Base-Backbone interact. energy: 2.296
local terms energy: -470.723350
where:
bonds (distance) C4'-P energy: -84.542
bonds (distance) P-C4' energy: -96.269
flat angles C4'-P-C4' energy: -107.068
flat angles P-C4'-P energy: -72.389
tors. eta vs tors. theta energy: -110.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1351.103735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.103735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.103735 (E_RNA)
where:
Base-Base interactions energy: -907.105
where: short stacking energy: -378.391
Base-Backbone interact. energy: -2.073
local terms energy: -441.925999
where:
bonds (distance) C4'-P energy: -96.423
bonds (distance) P-C4' energy: -87.294
flat angles C4'-P-C4' energy: -92.140
flat angles P-C4'-P energy: -63.773
tors. eta vs tors. theta energy: -102.296
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: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1329.507032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.507032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.507032 (E_RNA)
where:
Base-Base interactions energy: -891.039
where: short stacking energy: -378.629
Base-Backbone interact. energy: 1.799
local terms energy: -440.266856
where:
bonds (distance) C4'-P energy: -93.760
bonds (distance) P-C4' energy: -86.962
flat angles C4'-P-C4' energy: -107.502
flat angles P-C4'-P energy: -56.382
tors. eta vs tors. theta energy: -95.661
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: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1284.743402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.743402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.743402 (E_RNA)
where:
Base-Base interactions energy: -868.052
where: short stacking energy: -361.860
Base-Backbone interact. energy: 4.888
local terms energy: -421.578976
where:
bonds (distance) C4'-P energy: -90.344
bonds (distance) P-C4' energy: -84.282
flat angles C4'-P-C4' energy: -92.093
flat angles P-C4'-P energy: -68.794
tors. eta vs tors. theta energy: -86.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -848.954436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.954436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.954436 (E_RNA)
where:
Base-Base interactions energy: -498.590
where: short stacking energy: -252.843
Base-Backbone interact. energy: 1.131
local terms energy: -351.494798
where:
bonds (distance) C4'-P energy: -80.980
bonds (distance) P-C4' energy: -88.369
flat angles C4'-P-C4' energy: -87.251
flat angles P-C4'-P energy: -57.560
tors. eta vs tors. theta energy: -37.335
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: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -548.682743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.682743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.682743 (E_RNA)
where:
Base-Base interactions energy: -262.364
where: short stacking energy: -158.992
Base-Backbone interact. energy: 1.691
local terms energy: -288.010340
where:
bonds (distance) C4'-P energy: -83.719
bonds (distance) P-C4' energy: -87.077
flat angles C4'-P-C4' energy: -72.219
flat angles P-C4'-P energy: -47.221
tors. eta vs tors. theta energy: 2.227
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: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1853.780097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.780097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.780097 (E_RNA)
where:
Base-Base interactions energy: -1304.313
where: short stacking energy: -541.114
Base-Backbone interact. energy: -3.776
local terms energy: -545.690358
where:
bonds (distance) C4'-P energy: -99.347
bonds (distance) P-C4' energy: -108.933
flat angles C4'-P-C4' energy: -111.971
flat angles P-C4'-P energy: -72.558
tors. eta vs tors. theta energy: -152.882
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: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1812.203562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.203562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.203562 (E_RNA)
where:
Base-Base interactions energy: -1290.363
where: short stacking energy: -494.971
Base-Backbone interact. energy: -3.985
local terms energy: -517.855881
where:
bonds (distance) C4'-P energy: -90.630
bonds (distance) P-C4' energy: -109.399
flat angles C4'-P-C4' energy: -112.121
flat angles P-C4'-P energy: -66.070
tors. eta vs tors. theta energy: -139.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1729.261788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.261788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.261788 (E_RNA)
where:
Base-Base interactions energy: -1204.887
where: short stacking energy: -509.122
Base-Backbone interact. energy: -4.014
local terms energy: -520.360704
where:
bonds (distance) C4'-P energy: -86.482
bonds (distance) P-C4' energy: -88.392
flat angles C4'-P-C4' energy: -124.110
flat angles P-C4'-P energy: -79.906
tors. eta vs tors. theta energy: -141.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1674.965596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.965596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.965596 (E_RNA)
where:
Base-Base interactions energy: -1213.199
where: short stacking energy: -479.084
Base-Backbone interact. energy: -0.997
local terms energy: -460.769038
where:
bonds (distance) C4'-P energy: -83.577
bonds (distance) P-C4' energy: -95.109
flat angles C4'-P-C4' energy: -104.509
flat angles P-C4'-P energy: -65.968
tors. eta vs tors. theta energy: -111.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1512.772097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.772097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.772097 (E_RNA)
where:
Base-Base interactions energy: -1062.814
where: short stacking energy: -429.680
Base-Backbone interact. energy: 0.711
local terms energy: -450.668995
where:
bonds (distance) C4'-P energy: -77.974
bonds (distance) P-C4' energy: -86.975
flat angles C4'-P-C4' energy: -110.468
flat angles P-C4'-P energy: -60.473
tors. eta vs tors. theta energy: -114.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1423.642599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.642599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.642599 (E_RNA)
where:
Base-Base interactions energy: -991.158
where: short stacking energy: -417.167
Base-Backbone interact. energy: 0.410
local terms energy: -432.894752
where:
bonds (distance) C4'-P energy: -80.095
bonds (distance) P-C4' energy: -75.762
flat angles C4'-P-C4' energy: -107.213
flat angles P-C4'-P energy: -70.502
tors. eta vs tors. theta energy: -99.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1358.963082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.963082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.963082 (E_RNA)
where:
Base-Base interactions energy: -918.183
where: short stacking energy: -398.056
Base-Backbone interact. energy: -4.800
local terms energy: -435.980795
where:
bonds (distance) C4'-P energy: -94.229
bonds (distance) P-C4' energy: -94.601
flat angles C4'-P-C4' energy: -94.389
flat angles P-C4'-P energy: -67.878
tors. eta vs tors. theta energy: -84.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1270.134555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.134555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.134555 (E_RNA)
where:
Base-Base interactions energy: -857.503
where: short stacking energy: -368.964
Base-Backbone interact. energy: 0.283
local terms energy: -412.915414
where:
bonds (distance) C4'-P energy: -76.593
bonds (distance) P-C4' energy: -89.914
flat angles C4'-P-C4' energy: -98.194
flat angles P-C4'-P energy: -60.086
tors. eta vs tors. theta energy: -88.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -846.483527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.483527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.483527 (E_RNA)
where:
Base-Base interactions energy: -533.664
where: short stacking energy: -239.162
Base-Backbone interact. energy: 0.764
local terms energy: -313.583526
where:
bonds (distance) C4'-P energy: -85.757
bonds (distance) P-C4' energy: -78.766
flat angles C4'-P-C4' energy: -90.703
flat angles P-C4'-P energy: -34.971
tors. eta vs tors. theta energy: -23.386
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: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -549.352173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.352173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.352173 (E_RNA)
where:
Base-Base interactions energy: -285.210
where: short stacking energy: -169.288
Base-Backbone interact. energy: 1.665
local terms energy: -265.807168
where:
bonds (distance) C4'-P energy: -80.883
bonds (distance) P-C4' energy: -83.561
flat angles C4'-P-C4' energy: -70.880
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: 6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1832.780778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.780778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.780778 (E_RNA)
where:
Base-Base interactions energy: -1292.100
where: short stacking energy: -549.191
Base-Backbone interact. energy: -2.595
local terms energy: -538.085239
where:
bonds (distance) C4'-P energy: -101.092
bonds (distance) P-C4' energy: -112.939
flat angles C4'-P-C4' energy: -115.038
flat angles P-C4'-P energy: -61.415
tors. eta vs tors. theta energy: -147.602
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: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1827.595593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.595593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.595593 (E_RNA)
where:
Base-Base interactions energy: -1298.232
where: short stacking energy: -527.852
Base-Backbone interact. energy: -3.707
local terms energy: -525.656480
where:
bonds (distance) C4'-P energy: -90.126
bonds (distance) P-C4' energy: -94.832
flat angles C4'-P-C4' energy: -118.840
flat angles P-C4'-P energy: -79.060
tors. eta vs tors. theta energy: -142.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1709.035313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.035313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.035313 (E_RNA)
where:
Base-Base interactions energy: -1201.078
where: short stacking energy: -496.198
Base-Backbone interact. energy: -1.203
local terms energy: -506.753945
where:
bonds (distance) C4'-P energy: -100.013
bonds (distance) P-C4' energy: -92.663
flat angles C4'-P-C4' energy: -109.677
flat angles P-C4'-P energy: -76.048
tors. eta vs tors. theta energy: -128.353
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: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1635.730485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.730485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.730485 (E_RNA)
where:
Base-Base interactions energy: -1128.867
where: short stacking energy: -465.731
Base-Backbone interact. energy: -4.034
local terms energy: -502.829749
where:
bonds (distance) C4'-P energy: -91.539
bonds (distance) P-C4' energy: -97.693
flat angles C4'-P-C4' energy: -112.028
flat angles P-C4'-P energy: -83.547
tors. eta vs tors. theta energy: -118.023
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: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1531.410429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.410429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.410429 (E_RNA)
where:
Base-Base interactions energy: -1065.394
where: short stacking energy: -453.294
Base-Backbone interact. energy: -2.113
local terms energy: -463.903585
where:
bonds (distance) C4'-P energy: -85.893
bonds (distance) P-C4' energy: -100.515
flat angles C4'-P-C4' energy: -102.684
flat angles P-C4'-P energy: -66.612
tors. eta vs tors. theta energy: -108.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1494.945621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.945621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.945621 (E_RNA)
where:
Base-Base interactions energy: -1016.008
where: short stacking energy: -436.814
Base-Backbone interact. energy: -2.292
local terms energy: -476.644996
where:
bonds (distance) C4'-P energy: -88.413
bonds (distance) P-C4' energy: -107.273
flat angles C4'-P-C4' energy: -82.254
flat angles P-C4'-P energy: -76.223
tors. eta vs tors. theta energy: -122.482
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: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1300.542533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.542533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.542533 (E_RNA)
where:
Base-Base interactions energy: -862.662
where: short stacking energy: -379.462
Base-Backbone interact. energy: -1.745
local terms energy: -436.136369
where:
bonds (distance) C4'-P energy: -91.816
bonds (distance) P-C4' energy: -98.816
flat angles C4'-P-C4' energy: -94.926
flat angles P-C4'-P energy: -56.561
tors. eta vs tors. theta energy: -94.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1271.778544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.778544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.778544 (E_RNA)
where:
Base-Base interactions energy: -870.644
where: short stacking energy: -366.198
Base-Backbone interact. energy: 0.237
local terms energy: -401.371457
where:
bonds (distance) C4'-P energy: -87.620
bonds (distance) P-C4' energy: -87.240
flat angles C4'-P-C4' energy: -91.816
flat angles P-C4'-P energy: -59.600
tors. eta vs tors. theta energy: -75.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -827.641227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.641227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.641227 (E_RNA)
where:
Base-Base interactions energy: -493.816
where: short stacking energy: -231.164
Base-Backbone interact. energy: 1.204
local terms energy: -335.028797
where:
bonds (distance) C4'-P energy: -94.571
bonds (distance) P-C4' energy: -88.240
flat angles C4'-P-C4' energy: -84.793
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -36.403
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: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -573.947721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.947721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.947721 (E_RNA)
where:
Base-Base interactions energy: -298.004
where: short stacking energy: -171.023
Base-Backbone interact. energy: -2.038
local terms energy: -273.906010
where:
bonds (distance) C4'-P energy: -79.754
bonds (distance) P-C4' energy: -83.396
flat angles C4'-P-C4' energy: -69.359
flat angles P-C4'-P energy: -44.567
tors. eta vs tors. theta energy: 3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1821.595606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.595606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.595606 (E_RNA)
where:
Base-Base interactions energy: -1278.999
where: short stacking energy: -528.093
Base-Backbone interact. energy: -3.558
local terms energy: -539.039012
where:
bonds (distance) C4'-P energy: -99.497
bonds (distance) P-C4' energy: -91.479
flat angles C4'-P-C4' energy: -118.046
flat angles P-C4'-P energy: -77.307
tors. eta vs tors. theta energy: -152.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1789.836582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.836582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.836582 (E_RNA)
where:
Base-Base interactions energy: -1260.472
where: short stacking energy: -527.596
Base-Backbone interact. energy: 1.738
local terms energy: -531.102749
where:
bonds (distance) C4'-P energy: -94.482
bonds (distance) P-C4' energy: -109.895
flat angles C4'-P-C4' energy: -104.407
flat angles P-C4'-P energy: -85.640
tors. eta vs tors. theta energy: -136.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1724.238851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.238851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.238851 (E_RNA)
where:
Base-Base interactions energy: -1210.338
where: short stacking energy: -495.587
Base-Backbone interact. energy: -0.156
local terms energy: -513.745256
where:
bonds (distance) C4'-P energy: -99.203
bonds (distance) P-C4' energy: -95.608
flat angles C4'-P-C4' energy: -119.632
flat angles P-C4'-P energy: -62.879
tors. eta vs tors. theta energy: -136.423
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: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1659.366795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.366795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.366795 (E_RNA)
where:
Base-Base interactions energy: -1165.127
where: short stacking energy: -503.772
Base-Backbone interact. energy: -1.529
local terms energy: -492.711025
where:
bonds (distance) C4'-P energy: -96.952
bonds (distance) P-C4' energy: -100.041
flat angles C4'-P-C4' energy: -101.964
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -119.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1519.979205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.979205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.979205 (E_RNA)
where:
Base-Base interactions energy: -1039.138
where: short stacking energy: -423.840
Base-Backbone interact. energy: 0.589
local terms energy: -481.429815
where:
bonds (distance) C4'-P energy: -87.724
bonds (distance) P-C4' energy: -105.454
flat angles C4'-P-C4' energy: -108.362
flat angles P-C4'-P energy: -68.886
tors. eta vs tors. theta energy: -111.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1422.862020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.862020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.862020 (E_RNA)
where:
Base-Base interactions energy: -964.194
where: short stacking energy: -415.220
Base-Backbone interact. energy: 1.907
local terms energy: -460.575347
where:
bonds (distance) C4'-P energy: -93.820
bonds (distance) P-C4' energy: -105.139
flat angles C4'-P-C4' energy: -101.766
flat angles P-C4'-P energy: -58.279
tors. eta vs tors. theta energy: -101.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1338.814486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.814486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.814486 (E_RNA)
where:
Base-Base interactions energy: -879.551
where: short stacking energy: -391.976
Base-Backbone interact. energy: -4.113
local terms energy: -455.149962
where:
bonds (distance) C4'-P energy: -86.853
bonds (distance) P-C4' energy: -102.099
flat angles C4'-P-C4' energy: -104.143
flat angles P-C4'-P energy: -66.909
tors. eta vs tors. theta energy: -95.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1282.294019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.294019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.294019 (E_RNA)
where:
Base-Base interactions energy: -888.282
where: short stacking energy: -350.406
Base-Backbone interact. energy: -0.887
local terms energy: -393.125052
where:
bonds (distance) C4'-P energy: -85.899
bonds (distance) P-C4' energy: -89.380
flat angles C4'-P-C4' energy: -84.479
flat angles P-C4'-P energy: -38.724
tors. eta vs tors. theta energy: -94.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -800.137871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.137871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.137871 (E_RNA)
where:
Base-Base interactions energy: -461.940
where: short stacking energy: -232.223
Base-Backbone interact. energy: 1.527
local terms energy: -339.725355
where:
bonds (distance) C4'-P energy: -91.609
bonds (distance) P-C4' energy: -91.678
flat angles C4'-P-C4' energy: -84.117
flat angles P-C4'-P energy: -48.660
tors. eta vs tors. theta energy: -23.661
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: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -557.848608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.848608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.848608 (E_RNA)
where:
Base-Base interactions energy: -282.060
where: short stacking energy: -173.893
Base-Backbone interact. energy: -1.002
local terms energy: -274.786686
where:
bonds (distance) C4'-P energy: -79.481
bonds (distance) P-C4' energy: -88.098
flat angles C4'-P-C4' energy: -65.168
flat angles P-C4'-P energy: -32.746
tors. eta vs tors. theta energy: -9.294
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: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1827.288835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.288835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.288835 (E_RNA)
where:
Base-Base interactions energy: -1241.090
where: short stacking energy: -541.535
Base-Backbone interact. energy: 8.197
local terms energy: -594.395824
where:
bonds (distance) C4'-P energy: -109.237
bonds (distance) P-C4' energy: -117.140
flat angles C4'-P-C4' energy: -121.169
flat angles P-C4'-P energy: -91.382
tors. eta vs tors. theta energy: -155.466
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: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1787.759858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.759858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.759858 (E_RNA)
where:
Base-Base interactions energy: -1255.619
where: short stacking energy: -496.622
Base-Backbone interact. energy: -4.861
local terms energy: -527.279781
where:
bonds (distance) C4'-P energy: -105.123
bonds (distance) P-C4' energy: -98.946
flat angles C4'-P-C4' energy: -114.508
flat angles P-C4'-P energy: -69.935
tors. eta vs tors. theta energy: -138.769
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: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1749.322917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.322917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.322917 (E_RNA)
where:
Base-Base interactions energy: -1260.243
where: short stacking energy: -526.312
Base-Backbone interact. energy: -1.582
local terms energy: -487.498382
where:
bonds (distance) C4'-P energy: -101.471
bonds (distance) P-C4' energy: -80.123
flat angles C4'-P-C4' energy: -109.473
flat angles P-C4'-P energy: -67.407
tors. eta vs tors. theta energy: -129.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1623.969857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.969857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.969857 (E_RNA)
where:
Base-Base interactions energy: -1168.656
where: short stacking energy: -468.660
Base-Backbone interact. energy: -2.995
local terms energy: -452.318927
where:
bonds (distance) C4'-P energy: -80.759
bonds (distance) P-C4' energy: -79.905
flat angles C4'-P-C4' energy: -101.437
flat angles P-C4'-P energy: -65.719
tors. eta vs tors. theta energy: -124.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1493.459197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.459197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.459197 (E_RNA)
where:
Base-Base interactions energy: -1039.137
where: short stacking energy: -410.836
Base-Backbone interact. energy: 2.985
local terms energy: -457.306761
where:
bonds (distance) C4'-P energy: -89.399
bonds (distance) P-C4' energy: -92.555
flat angles C4'-P-C4' energy: -105.303
flat angles P-C4'-P energy: -58.454
tors. eta vs tors. theta energy: -111.596
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: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1413.960804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.960804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.960804 (E_RNA)
where:
Base-Base interactions energy: -962.241
where: short stacking energy: -426.159
Base-Backbone interact. energy: 3.164
local terms energy: -454.883450
where:
bonds (distance) C4'-P energy: -85.717
bonds (distance) P-C4' energy: -97.470
flat angles C4'-P-C4' energy: -102.269
flat angles P-C4'-P energy: -59.982
tors. eta vs tors. theta energy: -109.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1296.988748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.988748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.988748 (E_RNA)
where:
Base-Base interactions energy: -880.430
where: short stacking energy: -370.895
Base-Backbone interact. energy: -1.810
local terms energy: -414.749393
where:
bonds (distance) C4'-P energy: -80.572
bonds (distance) P-C4' energy: -96.809
flat angles C4'-P-C4' energy: -87.359
flat angles P-C4'-P energy: -57.261
tors. eta vs tors. theta energy: -92.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1266.601631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.601631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.601631 (E_RNA)
where:
Base-Base interactions energy: -843.880
where: short stacking energy: -360.519
Base-Backbone interact. energy: -0.235
local terms energy: -422.487186
where:
bonds (distance) C4'-P energy: -95.043
bonds (distance) P-C4' energy: -93.067
flat angles C4'-P-C4' energy: -107.775
flat angles P-C4'-P energy: -46.824
tors. eta vs tors. theta energy: -79.779
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: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -871.209917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.209917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.209917 (E_RNA)
where:
Base-Base interactions energy: -522.300
where: short stacking energy: -260.848
Base-Backbone interact. energy: -2.255
local terms energy: -346.655441
where:
bonds (distance) C4'-P energy: -71.580
bonds (distance) P-C4' energy: -87.610
flat angles C4'-P-C4' energy: -98.177
flat angles P-C4'-P energy: -58.273
tors. eta vs tors. theta energy: -31.016
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: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -549.292959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.292959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.292959 (E_RNA)
where:
Base-Base interactions energy: -284.631
where: short stacking energy: -187.090
Base-Backbone interact. energy: -0.626
local terms energy: -264.035954
where:
bonds (distance) C4'-P energy: -67.974
bonds (distance) P-C4' energy: -85.137
flat angles C4'-P-C4' energy: -79.611
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -2.178
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: 354
Temperature: 0.900000
Total energy: -1877.569413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.569413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.569413 (E_RNA)
where:
Base-Base interactions energy: -1308.436
where: short stacking energy: -544.691
Base-Backbone interact. energy: -3.209
local terms energy: -565.923844
where:
bonds (distance) C4'-P energy: -97.176
bonds (distance) P-C4' energy: -114.849
flat angles C4'-P-C4' energy: -120.465
flat angles P-C4'-P energy: -75.401
tors. eta vs tors. theta energy: -158.032
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: 354
Temperature: 0.950000
Total energy: -1784.890211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.890211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.890211 (E_RNA)
where:
Base-Base interactions energy: -1254.349
where: short stacking energy: -501.865
Base-Backbone interact. energy: 0.286
local terms energy: -530.827952
where:
bonds (distance) C4'-P energy: -90.030
bonds (distance) P-C4' energy: -100.814
flat angles C4'-P-C4' energy: -113.918
flat angles P-C4'-P energy: -81.559
tors. eta vs tors. theta energy: -144.507
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: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1709.899903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.899903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.899903 (E_RNA)
where:
Base-Base interactions energy: -1211.466
where: short stacking energy: -493.230
Base-Backbone interact. energy: -2.665
local terms energy: -495.768538
where:
bonds (distance) C4'-P energy: -81.817
bonds (distance) P-C4' energy: -102.565
flat angles C4'-P-C4' energy: -107.457
flat angles P-C4'-P energy: -78.216
tors. eta vs tors. theta energy: -125.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1694.834115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.834115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.834115 (E_RNA)
where:
Base-Base interactions energy: -1209.231
where: short stacking energy: -463.720
Base-Backbone interact. energy: -4.113
local terms energy: -481.490401
where:
bonds (distance) C4'-P energy: -86.300
bonds (distance) P-C4' energy: -83.626
flat angles C4'-P-C4' energy: -106.552
flat angles P-C4'-P energy: -83.375
tors. eta vs tors. theta energy: -121.637
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: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1523.518308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.518308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.518308 (E_RNA)
where:
Base-Base interactions energy: -1062.145
where: short stacking energy: -422.699
Base-Backbone interact. energy: 2.092
local terms energy: -463.465416
where:
bonds (distance) C4'-P energy: -109.797
bonds (distance) P-C4' energy: -83.070
flat angles C4'-P-C4' energy: -111.736
flat angles P-C4'-P energy: -58.215
tors. eta vs tors. theta energy: -100.647
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: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1398.933468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.933468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.933468 (E_RNA)
where:
Base-Base interactions energy: -980.118
where: short stacking energy: -397.182
Base-Backbone interact. energy: -0.901
local terms energy: -417.914046
where:
bonds (distance) C4'-P energy: -85.242
bonds (distance) P-C4' energy: -76.829
flat angles C4'-P-C4' energy: -99.543
flat angles P-C4'-P energy: -61.403
tors. eta vs tors. theta energy: -94.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1312.636222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.636222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.636222 (E_RNA)
where:
Base-Base interactions energy: -908.013
where: short stacking energy: -384.625
Base-Backbone interact. energy: -2.689
local terms energy: -401.933960
where:
bonds (distance) C4'-P energy: -82.006
bonds (distance) P-C4' energy: -78.733
flat angles C4'-P-C4' energy: -85.111
flat angles P-C4'-P energy: -65.698
tors. eta vs tors. theta energy: -90.385
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: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1252.799254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.799254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.799254 (E_RNA)
where:
Base-Base interactions energy: -878.476
where: short stacking energy: -371.751
Base-Backbone interact. energy: -2.291
local terms energy: -372.032453
where:
bonds (distance) C4'-P energy: -68.866
bonds (distance) P-C4' energy: -85.157
flat angles C4'-P-C4' energy: -82.635
flat angles P-C4'-P energy: -55.986
tors. eta vs tors. theta energy: -79.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -903.542221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.542221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.542221 (E_RNA)
where:
Base-Base interactions energy: -560.796
where: short stacking energy: -258.538
Base-Backbone interact. energy: -0.752
local terms energy: -341.994181
where:
bonds (distance) C4'-P energy: -76.484
bonds (distance) P-C4' energy: -87.492
flat angles C4'-P-C4' energy: -92.305
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -37.001
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: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -544.549859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.549859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.549859 (E_RNA)
where:
Base-Base interactions energy: -240.959
where: short stacking energy: -145.861
Base-Backbone interact. energy: -0.808
local terms energy: -302.782628
where:
bonds (distance) C4'-P energy: -78.152
bonds (distance) P-C4' energy: -91.276
flat angles C4'-P-C4' energy: -90.631
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -3.907
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: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1842.914578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.914578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.914578 (E_RNA)
where:
Base-Base interactions energy: -1289.302
where: short stacking energy: -552.249
Base-Backbone interact. energy: -2.148
local terms energy: -551.464818
where:
bonds (distance) C4'-P energy: -100.487
bonds (distance) P-C4' energy: -107.178
flat angles C4'-P-C4' energy: -114.658
flat angles P-C4'-P energy: -77.624
tors. eta vs tors. theta energy: -151.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1807.469389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.469389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.469389 (E_RNA)
where:
Base-Base interactions energy: -1282.770
where: short stacking energy: -521.698
Base-Backbone interact. energy: -5.263
local terms energy: -519.436852
where:
bonds (distance) C4'-P energy: -101.783
bonds (distance) P-C4' energy: -89.888
flat angles C4'-P-C4' energy: -110.100
flat angles P-C4'-P energy: -73.718
tors. eta vs tors. theta energy: -143.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1681.770941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.770941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.770941 (E_RNA)
where:
Base-Base interactions energy: -1154.264
where: short stacking energy: -477.834
Base-Backbone interact. energy: -0.701
local terms energy: -526.806633
where:
bonds (distance) C4'-P energy: -100.769
bonds (distance) P-C4' energy: -112.952
flat angles C4'-P-C4' energy: -110.191
flat angles P-C4'-P energy: -74.335
tors. eta vs tors. theta energy: -128.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1677.197179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.197179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.197179 (E_RNA)
where:
Base-Base interactions energy: -1213.025
where: short stacking energy: -467.838
Base-Backbone interact. energy: -3.267
local terms energy: -460.904355
where:
bonds (distance) C4'-P energy: -77.987
bonds (distance) P-C4' energy: -91.935
flat angles C4'-P-C4' energy: -107.307
flat angles P-C4'-P energy: -71.635
tors. eta vs tors. theta energy: -112.041
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: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1505.554504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.554504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.554504 (E_RNA)
where:
Base-Base interactions energy: -1029.951
where: short stacking energy: -424.288
Base-Backbone interact. energy: 3.317
local terms energy: -478.920373
where:
bonds (distance) C4'-P energy: -78.553
bonds (distance) P-C4' energy: -108.950
flat angles C4'-P-C4' energy: -114.618
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -106.354
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: 355
Temperature: 1.150000
Total energy: -1426.239181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.239181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.239181 (E_RNA)
where:
Base-Base interactions energy: -951.499
where: short stacking energy: -418.371
Base-Backbone interact. energy: -1.947
local terms energy: -472.793134
where:
bonds (distance) C4'-P energy: -88.653
bonds (distance) P-C4' energy: -97.806
flat angles C4'-P-C4' energy: -101.755
flat angles P-C4'-P energy: -68.137
tors. eta vs tors. theta energy: -116.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1264.087932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.087932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.087932 (E_RNA)
where:
Base-Base interactions energy: -856.770
where: short stacking energy: -382.870
Base-Backbone interact. energy: 0.126
local terms energy: -407.443328
where:
bonds (distance) C4'-P energy: -71.778
bonds (distance) P-C4' energy: -92.151
flat angles C4'-P-C4' energy: -79.351
flat angles P-C4'-P energy: -74.503
tors. eta vs tors. theta energy: -89.661
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: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1310.705615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.705615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.705615 (E_RNA)
where:
Base-Base interactions energy: -923.348
where: short stacking energy: -361.975
Base-Backbone interact. energy: -3.112
local terms energy: -384.245968
where:
bonds (distance) C4'-P energy: -71.707
bonds (distance) P-C4' energy: -97.642
flat angles C4'-P-C4' energy: -102.246
flat angles P-C4'-P energy: -35.462
tors. eta vs tors. theta energy: -77.189
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: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -868.743015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.743015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.743015 (E_RNA)
where:
Base-Base interactions energy: -527.311
where: short stacking energy: -236.475
Base-Backbone interact. energy: -0.617
local terms energy: -340.815348
where:
bonds (distance) C4'-P energy: -92.602
bonds (distance) P-C4' energy: -76.815
flat angles C4'-P-C4' energy: -83.565
flat angles P-C4'-P energy: -58.616
tors. eta vs tors. theta energy: -29.218
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: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -549.467849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.467849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.467849 (E_RNA)
where:
Base-Base interactions energy: -244.004
where: short stacking energy: -143.233
Base-Backbone interact. energy: 0.279
local terms energy: -305.742631
where:
bonds (distance) C4'-P energy: -78.705
bonds (distance) P-C4' energy: -89.796
flat angles C4'-P-C4' energy: -83.360
flat angles P-C4'-P energy: -59.587
tors. eta vs tors. theta energy: 5.705
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: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1851.162403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.162403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.162403 (E_RNA)
where:
Base-Base interactions energy: -1290.448
where: short stacking energy: -543.149
Base-Backbone interact. energy: -2.551
local terms energy: -558.163606
where:
bonds (distance) C4'-P energy: -103.723
bonds (distance) P-C4' energy: -102.670
flat angles C4'-P-C4' energy: -119.511
flat angles P-C4'-P energy: -76.634
tors. eta vs tors. theta energy: -155.626
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: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1821.034153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.034153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.034153 (E_RNA)
where:
Base-Base interactions energy: -1290.516
where: short stacking energy: -528.363
Base-Backbone interact. energy: 1.531
local terms energy: -532.048801
where:
bonds (distance) C4'-P energy: -100.871
bonds (distance) P-C4' energy: -103.322
flat angles C4'-P-C4' energy: -94.307
flat angles P-C4'-P energy: -84.103
tors. eta vs tors. theta energy: -149.446
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: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1690.727706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.727706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.727706 (E_RNA)
where:
Base-Base interactions energy: -1172.255
where: short stacking energy: -482.232
Base-Backbone interact. energy: -1.639
local terms energy: -516.833691
where:
bonds (distance) C4'-P energy: -105.732
bonds (distance) P-C4' energy: -98.849
flat angles C4'-P-C4' energy: -115.485
flat angles P-C4'-P energy: -74.930
tors. eta vs tors. theta energy: -121.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1646.179187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.179187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.179187 (E_RNA)
where:
Base-Base interactions energy: -1161.668
where: short stacking energy: -475.913
Base-Backbone interact. energy: -2.152
local terms energy: -482.359701
where:
bonds (distance) C4'-P energy: -79.183
bonds (distance) P-C4' energy: -103.073
flat angles C4'-P-C4' energy: -109.992
flat angles P-C4'-P energy: -65.962
tors. eta vs tors. theta energy: -124.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1534.568594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.568594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.568594 (E_RNA)
where:
Base-Base interactions energy: -1057.563
where: short stacking energy: -423.630
Base-Backbone interact. energy: -1.329
local terms energy: -475.676034
where:
bonds (distance) C4'-P energy: -96.273
bonds (distance) P-C4' energy: -96.974
flat angles C4'-P-C4' energy: -101.974
flat angles P-C4'-P energy: -65.885
tors. eta vs tors. theta energy: -114.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1374.667545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.667545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.667545 (E_RNA)
where:
Base-Base interactions energy: -938.444
where: short stacking energy: -413.436
Base-Backbone interact. energy: -3.454
local terms energy: -432.769427
where:
bonds (distance) C4'-P energy: -95.507
bonds (distance) P-C4' energy: -73.402
flat angles C4'-P-C4' energy: -88.231
flat angles P-C4'-P energy: -68.828
tors. eta vs tors. theta energy: -106.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1350.029270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.029270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.029270 (E_RNA)
where:
Base-Base interactions energy: -949.743
where: short stacking energy: -406.525
Base-Backbone interact. energy: -2.817
local terms energy: -397.469151
where:
bonds (distance) C4'-P energy: -86.804
bonds (distance) P-C4' energy: -71.817
flat angles C4'-P-C4' energy: -83.922
flat angles P-C4'-P energy: -58.448
tors. eta vs tors. theta energy: -96.477
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: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1230.457559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.457559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.457559 (E_RNA)
where:
Base-Base interactions energy: -820.015
where: short stacking energy: -355.575
Base-Backbone interact. energy: 0.364
local terms energy: -410.806113
where:
bonds (distance) C4'-P energy: -84.004
bonds (distance) P-C4' energy: -90.526
flat angles C4'-P-C4' energy: -101.057
flat angles P-C4'-P energy: -59.681
tors. eta vs tors. theta energy: -75.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -863.911451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.911451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.911451 (E_RNA)
where:
Base-Base interactions energy: -521.371
where: short stacking energy: -230.271
Base-Backbone interact. energy: -2.034
local terms energy: -340.506768
where:
bonds (distance) C4'-P energy: -84.025
bonds (distance) P-C4' energy: -86.083
flat angles C4'-P-C4' energy: -84.839
flat angles P-C4'-P energy: -51.513
tors. eta vs tors. theta energy: -34.047
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: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -530.644627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.644627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.644627 (E_RNA)
where:
Base-Base interactions energy: -258.474
where: short stacking energy: -154.434
Base-Backbone interact. energy: 2.354
local terms energy: -274.524658
where:
bonds (distance) C4'-P energy: -75.459
bonds (distance) P-C4' energy: -84.057
flat angles C4'-P-C4' energy: -75.176
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: 0.710
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: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1809.593610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.593610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.593610 (E_RNA)
where:
Base-Base interactions energy: -1261.044
where: short stacking energy: -533.962
Base-Backbone interact. energy: -0.139
local terms energy: -548.409889
where:
bonds (distance) C4'-P energy: -106.185
bonds (distance) P-C4' energy: -113.176
flat angles C4'-P-C4' energy: -103.203
flat angles P-C4'-P energy: -67.482
tors. eta vs tors. theta energy: -158.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1800.812053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.812053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.812053 (E_RNA)
where:
Base-Base interactions energy: -1285.229
where: short stacking energy: -504.676
Base-Backbone interact. energy: -2.787
local terms energy: -512.795612
where:
bonds (distance) C4'-P energy: -86.125
bonds (distance) P-C4' energy: -96.845
flat angles C4'-P-C4' energy: -113.289
flat angles P-C4'-P energy: -71.914
tors. eta vs tors. theta energy: -144.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1730.663089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.663089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.663089 (E_RNA)
where:
Base-Base interactions energy: -1243.649
where: short stacking energy: -468.590
Base-Backbone interact. energy: -5.160
local terms energy: -481.853919
where:
bonds (distance) C4'-P energy: -89.273
bonds (distance) P-C4' energy: -93.992
flat angles C4'-P-C4' energy: -118.071
flat angles P-C4'-P energy: -64.564
tors. eta vs tors. theta energy: -115.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1649.627572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.627572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.627572 (E_RNA)
where:
Base-Base interactions energy: -1159.474
where: short stacking energy: -471.818
Base-Backbone interact. energy: -2.979
local terms energy: -487.174767
where:
bonds (distance) C4'-P energy: -89.439
bonds (distance) P-C4' energy: -90.860
flat angles C4'-P-C4' energy: -105.265
flat angles P-C4'-P energy: -71.395
tors. eta vs tors. theta energy: -130.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1560.100783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.100783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.100783 (E_RNA)
where:
Base-Base interactions energy: -1100.831
where: short stacking energy: -446.872
Base-Backbone interact. energy: 1.821
local terms energy: -461.090352
where:
bonds (distance) C4'-P energy: -80.722
bonds (distance) P-C4' energy: -103.804
flat angles C4'-P-C4' energy: -95.967
flat angles P-C4'-P energy: -68.418
tors. eta vs tors. theta energy: -112.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1414.816706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.816706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.816706 (E_RNA)
where:
Base-Base interactions energy: -965.748
where: short stacking energy: -395.647
Base-Backbone interact. energy: 4.119
local terms energy: -453.187630
where:
bonds (distance) C4'-P energy: -92.267
bonds (distance) P-C4' energy: -96.682
flat angles C4'-P-C4' energy: -90.600
flat angles P-C4'-P energy: -61.272
tors. eta vs tors. theta energy: -112.366
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: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1323.644388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.644388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.644388 (E_RNA)
where:
Base-Base interactions energy: -898.347
where: short stacking energy: -383.837
Base-Backbone interact. energy: -1.074
local terms energy: -424.223771
where:
bonds (distance) C4'-P energy: -67.369
bonds (distance) P-C4' energy: -82.282
flat angles C4'-P-C4' energy: -104.661
flat angles P-C4'-P energy: -66.000
tors. eta vs tors. theta energy: -103.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1234.814596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.814596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.814596 (E_RNA)
where:
Base-Base interactions energy: -865.360
where: short stacking energy: -352.448
Base-Backbone interact. energy: 0.567
local terms energy: -370.021417
where:
bonds (distance) C4'-P energy: -100.942
bonds (distance) P-C4' energy: -84.367
flat angles C4'-P-C4' energy: -74.459
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -69.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -845.003103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.003103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.003103 (E_RNA)
where:
Base-Base interactions energy: -537.105
where: short stacking energy: -259.588
Base-Backbone interact. energy: -0.247
local terms energy: -307.650847
where:
bonds (distance) C4'-P energy: -80.296
bonds (distance) P-C4' energy: -82.017
flat angles C4'-P-C4' energy: -57.184
flat angles P-C4'-P energy: -55.975
tors. eta vs tors. theta energy: -32.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -532.718769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.718769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.718769 (E_RNA)
where:
Base-Base interactions energy: -248.906
where: short stacking energy: -160.252
Base-Backbone interact. energy: 1.552
local terms energy: -285.364364
where:
bonds (distance) C4'-P energy: -94.158
bonds (distance) P-C4' energy: -93.789
flat angles C4'-P-C4' energy: -73.419
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: 0.429
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: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1789.449547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.449547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.449547 (E_RNA)
where:
Base-Base interactions energy: -1254.236
where: short stacking energy: -509.733
Base-Backbone interact. energy: -1.646
local terms energy: -533.567220
where:
bonds (distance) C4'-P energy: -110.802
bonds (distance) P-C4' energy: -93.002
flat angles C4'-P-C4' energy: -103.074
flat angles P-C4'-P energy: -78.989
tors. eta vs tors. theta energy: -147.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1785.173052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.173052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.173052 (E_RNA)
where:
Base-Base interactions energy: -1254.811
where: short stacking energy: -527.622
Base-Backbone interact. energy: 3.473
local terms energy: -533.834871
where:
bonds (distance) C4'-P energy: -86.752
bonds (distance) P-C4' energy: -106.050
flat angles C4'-P-C4' energy: -116.543
flat angles P-C4'-P energy: -67.830
tors. eta vs tors. theta energy: -156.659
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: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1740.102892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.102892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.102892 (E_RNA)
where:
Base-Base interactions energy: -1230.719
where: short stacking energy: -495.021
Base-Backbone interact. energy: -3.513
local terms energy: -505.870262
where:
bonds (distance) C4'-P energy: -94.601
bonds (distance) P-C4' energy: -87.137
flat angles C4'-P-C4' energy: -112.270
flat angles P-C4'-P energy: -88.089
tors. eta vs tors. theta energy: -123.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1690.267538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.267538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.267538 (E_RNA)
where:
Base-Base interactions energy: -1202.112
where: short stacking energy: -482.091
Base-Backbone interact. energy: -3.432
local terms energy: -484.724334
where:
bonds (distance) C4'-P energy: -96.355
bonds (distance) P-C4' energy: -81.125
flat angles C4'-P-C4' energy: -110.875
flat angles P-C4'-P energy: -68.304
tors. eta vs tors. theta energy: -128.065
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: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1545.088544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.088544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.088544 (E_RNA)
where:
Base-Base interactions energy: -1095.887
where: short stacking energy: -436.045
Base-Backbone interact. energy: -2.704
local terms energy: -446.496870
where:
bonds (distance) C4'-P energy: -80.823
bonds (distance) P-C4' energy: -89.943
flat angles C4'-P-C4' energy: -107.725
flat angles P-C4'-P energy: -70.225
tors. eta vs tors. theta energy: -97.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1429.605955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.605955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.605955 (E_RNA)
where:
Base-Base interactions energy: -966.614
where: short stacking energy: -401.346
Base-Backbone interact. energy: -1.760
local terms energy: -461.231445
where:
bonds (distance) C4'-P energy: -81.198
bonds (distance) P-C4' energy: -101.178
flat angles C4'-P-C4' energy: -102.702
flat angles P-C4'-P energy: -74.272
tors. eta vs tors. theta energy: -101.880
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: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1380.497922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.497922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.497922 (E_RNA)
where:
Base-Base interactions energy: -958.736
where: short stacking energy: -413.217
Base-Backbone interact. energy: -3.565
local terms energy: -418.196883
where:
bonds (distance) C4'-P energy: -74.078
bonds (distance) P-C4' energy: -75.599
flat angles C4'-P-C4' energy: -97.982
flat angles P-C4'-P energy: -63.683
tors. eta vs tors. theta energy: -106.855
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: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1193.935668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.935668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.935668 (E_RNA)
where:
Base-Base interactions energy: -793.135
where: short stacking energy: -330.996
Base-Backbone interact. energy: 2.585
local terms energy: -403.385281
where:
bonds (distance) C4'-P energy: -88.244
bonds (distance) P-C4' energy: -93.463
flat angles C4'-P-C4' energy: -91.652
flat angles P-C4'-P energy: -56.805
tors. eta vs tors. theta energy: -73.220
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: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -894.039824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.039824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.039824 (E_RNA)
where:
Base-Base interactions energy: -584.086
where: short stacking energy: -275.346
Base-Backbone interact. energy: 1.121
local terms energy: -311.074915
where:
bonds (distance) C4'-P energy: -91.470
bonds (distance) P-C4' energy: -93.360
flat angles C4'-P-C4' energy: -66.539
flat angles P-C4'-P energy: -37.607
tors. eta vs tors. theta energy: -22.098
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: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -528.047420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.047420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.047420 (E_RNA)
where:
Base-Base interactions energy: -250.742
where: short stacking energy: -161.169
Base-Backbone interact. energy: -1.097
local terms energy: -276.207580
where:
bonds (distance) C4'-P energy: -68.804
bonds (distance) P-C4' energy: -86.138
flat angles C4'-P-C4' energy: -66.173
flat angles P-C4'-P energy: -60.700
tors. eta vs tors. theta energy: 5.607
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: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1844.529199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.529199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.529199 (E_RNA)
where:
Base-Base interactions energy: -1289.609
where: short stacking energy: -514.997
Base-Backbone interact. energy: -5.959
local terms energy: -548.961255
where:
bonds (distance) C4'-P energy: -110.045
bonds (distance) P-C4' energy: -103.052
flat angles C4'-P-C4' energy: -115.555
flat angles P-C4'-P energy: -78.733
tors. eta vs tors. theta energy: -141.576
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: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1774.795145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.795145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.795145 (E_RNA)
where:
Base-Base interactions energy: -1233.995
where: short stacking energy: -523.483
Base-Backbone interact. energy: -0.430
local terms energy: -540.370004
where:
bonds (distance) C4'-P energy: -99.667
bonds (distance) P-C4' energy: -106.268
flat angles C4'-P-C4' energy: -103.154
flat angles P-C4'-P energy: -77.971
tors. eta vs tors. theta energy: -153.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1770.512920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.512920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.512920 (E_RNA)
where:
Base-Base interactions energy: -1263.720
where: short stacking energy: -500.923
Base-Backbone interact. energy: -0.691
local terms energy: -506.102535
where:
bonds (distance) C4'-P energy: -87.089
bonds (distance) P-C4' energy: -98.160
flat angles C4'-P-C4' energy: -105.013
flat angles P-C4'-P energy: -82.734
tors. eta vs tors. theta energy: -133.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1640.107669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.107669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.107669 (E_RNA)
where:
Base-Base interactions energy: -1158.274
where: short stacking energy: -457.925
Base-Backbone interact. energy: -0.171
local terms energy: -481.663319
where:
bonds (distance) C4'-P energy: -83.666
bonds (distance) P-C4' energy: -98.662
flat angles C4'-P-C4' energy: -111.705
flat angles P-C4'-P energy: -66.247
tors. eta vs tors. theta energy: -121.382
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: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1563.276897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.276897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.276897 (E_RNA)
where:
Base-Base interactions energy: -1135.752
where: short stacking energy: -449.145
Base-Backbone interact. energy: 1.050
local terms energy: -428.575111
where:
bonds (distance) C4'-P energy: -85.694
bonds (distance) P-C4' energy: -96.102
flat angles C4'-P-C4' energy: -91.950
flat angles P-C4'-P energy: -54.831
tors. eta vs tors. theta energy: -99.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1421.553413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.553413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.553413 (E_RNA)
where:
Base-Base interactions energy: -988.916
where: short stacking energy: -413.871
Base-Backbone interact. energy: 2.681
local terms energy: -435.319002
where:
bonds (distance) C4'-P energy: -71.517
bonds (distance) P-C4' energy: -85.784
flat angles C4'-P-C4' energy: -104.231
flat angles P-C4'-P energy: -65.253
tors. eta vs tors. theta energy: -108.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1440.425223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.425223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.425223 (E_RNA)
where:
Base-Base interactions energy: -986.729
where: short stacking energy: -441.558
Base-Backbone interact. energy: -5.727
local terms energy: -447.969557
where:
bonds (distance) C4'-P energy: -75.457
bonds (distance) P-C4' energy: -101.234
flat angles C4'-P-C4' energy: -97.945
flat angles P-C4'-P energy: -65.260
tors. eta vs tors. theta energy: -108.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1177.236573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.236573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.236573 (E_RNA)
where:
Base-Base interactions energy: -793.670
where: short stacking energy: -318.584
Base-Backbone interact. energy: 1.412
local terms energy: -384.979092
where:
bonds (distance) C4'-P energy: -85.177
bonds (distance) P-C4' energy: -88.777
flat angles C4'-P-C4' energy: -91.310
flat angles P-C4'-P energy: -50.925
tors. eta vs tors. theta energy: -68.790
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: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -884.422263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.422263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.422263 (E_RNA)
where:
Base-Base interactions energy: -552.799
where: short stacking energy: -262.724
Base-Backbone interact. energy: -1.538
local terms energy: -330.085187
where:
bonds (distance) C4'-P energy: -70.374
bonds (distance) P-C4' energy: -91.547
flat angles C4'-P-C4' energy: -85.488
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -42.631
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: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -561.545047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.545047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.545047 (E_RNA)
where:
Base-Base interactions energy: -263.659
where: short stacking energy: -164.023
Base-Backbone interact. energy: 0.745
local terms energy: -298.630689
where:
bonds (distance) C4'-P energy: -85.666
bonds (distance) P-C4' energy: -87.969
flat angles C4'-P-C4' energy: -73.086
flat angles P-C4'-P energy: -44.615
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1837.836230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.836230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.836230 (E_RNA)
where:
Base-Base interactions energy: -1290.475
where: short stacking energy: -507.821
Base-Backbone interact. energy: -2.807
local terms energy: -544.553944
where:
bonds (distance) C4'-P energy: -100.206
bonds (distance) P-C4' energy: -105.242
flat angles C4'-P-C4' energy: -112.328
flat angles P-C4'-P energy: -81.871
tors. eta vs tors. theta energy: -144.906
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: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1803.157644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.157644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.157644 (E_RNA)
where:
Base-Base interactions energy: -1275.347
where: short stacking energy: -522.762
Base-Backbone interact. energy: 2.468
local terms energy: -530.278315
where:
bonds (distance) C4'-P energy: -92.125
bonds (distance) P-C4' energy: -103.060
flat angles C4'-P-C4' energy: -115.473
flat angles P-C4'-P energy: -67.185
tors. eta vs tors. theta energy: -152.435
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: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1754.357645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.357645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.357645 (E_RNA)
where:
Base-Base interactions energy: -1251.230
where: short stacking energy: -481.980
Base-Backbone interact. energy: -1.515
local terms energy: -501.612565
where:
bonds (distance) C4'-P energy: -85.869
bonds (distance) P-C4' energy: -102.200
flat angles C4'-P-C4' energy: -110.684
flat angles P-C4'-P energy: -69.311
tors. eta vs tors. theta energy: -133.549
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: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1663.161203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.161203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.161203 (E_RNA)
where:
Base-Base interactions energy: -1188.307
where: short stacking energy: -455.624
Base-Backbone interact. energy: -6.187
local terms energy: -468.666671
where:
bonds (distance) C4'-P energy: -83.723
bonds (distance) P-C4' energy: -94.001
flat angles C4'-P-C4' energy: -97.903
flat angles P-C4'-P energy: -69.781
tors. eta vs tors. theta energy: -123.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1552.618167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.618167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.618167 (E_RNA)
where:
Base-Base interactions energy: -1092.828
where: short stacking energy: -428.008
Base-Backbone interact. energy: -2.482
local terms energy: -457.308425
where:
bonds (distance) C4'-P energy: -84.325
bonds (distance) P-C4' energy: -92.954
flat angles C4'-P-C4' energy: -106.576
flat angles P-C4'-P energy: -72.254
tors. eta vs tors. theta energy: -101.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1417.473525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.473525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.473525 (E_RNA)
where:
Base-Base interactions energy: -973.992
where: short stacking energy: -396.085
Base-Backbone interact. energy: 2.675
local terms energy: -446.156780
where:
bonds (distance) C4'-P energy: -88.815
bonds (distance) P-C4' energy: -89.050
flat angles C4'-P-C4' energy: -96.530
flat angles P-C4'-P energy: -65.553
tors. eta vs tors. theta energy: -106.209
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: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1366.072864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.072864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.072864 (E_RNA)
where:
Base-Base interactions energy: -936.521
where: short stacking energy: -404.027
Base-Backbone interact. energy: -0.523
local terms energy: -429.028582
where:
bonds (distance) C4'-P energy: -77.608
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -105.674
flat angles P-C4'-P energy: -62.140
tors. eta vs tors. theta energy: -96.148
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: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1209.753168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.753168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.753168 (E_RNA)
where:
Base-Base interactions energy: -814.620
where: short stacking energy: -348.330
Base-Backbone interact. energy: 1.978
local terms energy: -397.110936
where:
bonds (distance) C4'-P energy: -87.511
bonds (distance) P-C4' energy: -86.397
flat angles C4'-P-C4' energy: -95.032
flat angles P-C4'-P energy: -56.897
tors. eta vs tors. theta energy: -71.275
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: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -818.475350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.475350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.475350 (E_RNA)
where:
Base-Base interactions energy: -501.631
where: short stacking energy: -245.740
Base-Backbone interact. energy: 5.290
local terms energy: -322.134614
where:
bonds (distance) C4'-P energy: -68.341
bonds (distance) P-C4' energy: -86.718
flat angles C4'-P-C4' energy: -83.718
flat angles P-C4'-P energy: -50.916
tors. eta vs tors. theta energy: -32.442
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: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -577.882571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.882571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.882571 (E_RNA)
where:
Base-Base interactions energy: -289.211
where: short stacking energy: -157.512
Base-Backbone interact. energy: -3.928
local terms energy: -284.743392
where:
bonds (distance) C4'-P energy: -79.558
bonds (distance) P-C4' energy: -89.620
flat angles C4'-P-C4' energy: -69.323
flat angles P-C4'-P energy: -44.532
tors. eta vs tors. theta energy: -1.711
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: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1810.191571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.191571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.191571 (E_RNA)
where:
Base-Base interactions energy: -1280.602
where: short stacking energy: -506.718
Base-Backbone interact. energy: -3.906
local terms energy: -525.682692
where:
bonds (distance) C4'-P energy: -96.875
bonds (distance) P-C4' energy: -112.299
flat angles C4'-P-C4' energy: -107.468
flat angles P-C4'-P energy: -71.772
tors. eta vs tors. theta energy: -137.270
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: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1800.840433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.840433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.840433 (E_RNA)
where:
Base-Base interactions energy: -1266.935
where: short stacking energy: -514.786
Base-Backbone interact. energy: 1.279
local terms energy: -535.184200
where:
bonds (distance) C4'-P energy: -100.381
bonds (distance) P-C4' energy: -96.887
flat angles C4'-P-C4' energy: -113.868
flat angles P-C4'-P energy: -73.251
tors. eta vs tors. theta energy: -150.796
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: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1738.789124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.789124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.789124 (E_RNA)
where:
Base-Base interactions energy: -1231.873
where: short stacking energy: -480.559
Base-Backbone interact. energy: -1.572
local terms energy: -505.343469
where:
bonds (distance) C4'-P energy: -103.735
bonds (distance) P-C4' energy: -101.865
flat angles C4'-P-C4' energy: -102.950
flat angles P-C4'-P energy: -72.088
tors. eta vs tors. theta energy: -124.705
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: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1665.319663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.319663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.319663 (E_RNA)
where:
Base-Base interactions energy: -1170.508
where: short stacking energy: -461.909
Base-Backbone interact. energy: -1.723
local terms energy: -493.088646
where:
bonds (distance) C4'-P energy: -88.210
bonds (distance) P-C4' energy: -95.342
flat angles C4'-P-C4' energy: -110.212
flat angles P-C4'-P energy: -72.139
tors. eta vs tors. theta energy: -127.185
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: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1554.700946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.700946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.700946 (E_RNA)
where:
Base-Base interactions energy: -1099.117
where: short stacking energy: -420.669
Base-Backbone interact. energy: 0.904
local terms energy: -456.488005
where:
bonds (distance) C4'-P energy: -82.840
bonds (distance) P-C4' energy: -96.298
flat angles C4'-P-C4' energy: -104.698
flat angles P-C4'-P energy: -66.726
tors. eta vs tors. theta energy: -105.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1385.802182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.802182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.802182 (E_RNA)
where:
Base-Base interactions energy: -940.147
where: short stacking energy: -403.657
Base-Backbone interact. energy: -4.439
local terms energy: -441.215775
where:
bonds (distance) C4'-P energy: -88.832
bonds (distance) P-C4' energy: -92.477
flat angles C4'-P-C4' energy: -101.318
flat angles P-C4'-P energy: -56.487
tors. eta vs tors. theta energy: -102.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1315.564303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.564303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.564303 (E_RNA)
where:
Base-Base interactions energy: -909.957
where: short stacking energy: -379.958
Base-Backbone interact. energy: 5.094
local terms energy: -410.701529
where:
bonds (distance) C4'-P energy: -80.357
bonds (distance) P-C4' energy: -90.759
flat angles C4'-P-C4' energy: -91.348
flat angles P-C4'-P energy: -61.974
tors. eta vs tors. theta energy: -86.263
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: 361
Temperature: 1.250000
Total energy: -1196.885562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.885562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.885562 (E_RNA)
where:
Base-Base interactions energy: -819.691
where: short stacking energy: -346.537
Base-Backbone interact. energy: 1.075
local terms energy: -378.269272
where:
bonds (distance) C4'-P energy: -65.976
bonds (distance) P-C4' energy: -80.739
flat angles C4'-P-C4' energy: -98.742
flat angles P-C4'-P energy: -61.325
tors. eta vs tors. theta energy: -71.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -857.447008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.447008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.447008 (E_RNA)
where:
Base-Base interactions energy: -510.771
where: short stacking energy: -259.972
Base-Backbone interact. energy: -1.083
local terms energy: -345.593408
where:
bonds (distance) C4'-P energy: -100.793
bonds (distance) P-C4' energy: -74.616
flat angles C4'-P-C4' energy: -81.352
flat angles P-C4'-P energy: -52.669
tors. eta vs tors. theta energy: -36.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -606.995096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.995096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.995096 (E_RNA)
where:
Base-Base interactions energy: -311.271
where: short stacking energy: -169.226
Base-Backbone interact. energy: -2.193
local terms energy: -293.531248
where:
bonds (distance) C4'-P energy: -77.098
bonds (distance) P-C4' energy: -84.236
flat angles C4'-P-C4' energy: -67.228
flat angles P-C4'-P energy: -47.811
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1825.074225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.074225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.074225 (E_RNA)
where:
Base-Base interactions energy: -1285.867
where: short stacking energy: -532.235
Base-Backbone interact. energy: -1.828
local terms energy: -537.378841
where:
bonds (distance) C4'-P energy: -103.742
bonds (distance) P-C4' energy: -99.454
flat angles C4'-P-C4' energy: -108.891
flat angles P-C4'-P energy: -84.987
tors. eta vs tors. theta energy: -140.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1763.326628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.326628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.326628 (E_RNA)
where:
Base-Base interactions energy: -1244.055
where: short stacking energy: -528.671
Base-Backbone interact. energy: 0.251
local terms energy: -519.523374
where:
bonds (distance) C4'-P energy: -87.261
bonds (distance) P-C4' energy: -94.814
flat angles C4'-P-C4' energy: -110.608
flat angles P-C4'-P energy: -83.940
tors. eta vs tors. theta energy: -142.900
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: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1721.584629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.584629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.584629 (E_RNA)
where:
Base-Base interactions energy: -1202.211
where: short stacking energy: -506.980
Base-Backbone interact. energy: -4.730
local terms energy: -514.643994
where:
bonds (distance) C4'-P energy: -96.237
bonds (distance) P-C4' energy: -98.862
flat angles C4'-P-C4' energy: -116.642
flat angles P-C4'-P energy: -66.957
tors. eta vs tors. theta energy: -135.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1676.985266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.985266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.985266 (E_RNA)
where:
Base-Base interactions energy: -1157.629
where: short stacking energy: -458.210
Base-Backbone interact. energy: -3.647
local terms energy: -515.709615
where:
bonds (distance) C4'-P energy: -105.630
bonds (distance) P-C4' energy: -109.089
flat angles C4'-P-C4' energy: -100.808
flat angles P-C4'-P energy: -77.197
tors. eta vs tors. theta energy: -122.984
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: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1552.615678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.615678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.615678 (E_RNA)
where:
Base-Base interactions energy: -1090.528
where: short stacking energy: -433.852
Base-Backbone interact. energy: 0.060
local terms energy: -462.148012
where:
bonds (distance) C4'-P energy: -91.766
bonds (distance) P-C4' energy: -78.243
flat angles C4'-P-C4' energy: -108.937
flat angles P-C4'-P energy: -75.790
tors. eta vs tors. theta energy: -107.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1395.675499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.675499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.675499 (E_RNA)
where:
Base-Base interactions energy: -944.977
where: short stacking energy: -408.130
Base-Backbone interact. energy: -0.790
local terms energy: -449.908037
where:
bonds (distance) C4'-P energy: -100.774
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -81.956
flat angles P-C4'-P energy: -64.504
tors. eta vs tors. theta energy: -107.603
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: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1360.120938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.120938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.120938 (E_RNA)
where:
Base-Base interactions energy: -930.133
where: short stacking energy: -404.714
Base-Backbone interact. energy: -3.286
local terms energy: -426.702164
where:
bonds (distance) C4'-P energy: -72.420
bonds (distance) P-C4' energy: -90.940
flat angles C4'-P-C4' energy: -97.233
flat angles P-C4'-P energy: -57.365
tors. eta vs tors. theta energy: -108.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1219.876395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.876395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.876395 (E_RNA)
where:
Base-Base interactions energy: -809.895
where: short stacking energy: -352.012
Base-Backbone interact. energy: 2.348
local terms energy: -412.329630
where:
bonds (distance) C4'-P energy: -81.105
bonds (distance) P-C4' energy: -90.380
flat angles C4'-P-C4' energy: -95.142
flat angles P-C4'-P energy: -59.786
tors. eta vs tors. theta energy: -85.918
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: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -854.974648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.974648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.974648 (E_RNA)
where:
Base-Base interactions energy: -529.195
where: short stacking energy: -236.034
Base-Backbone interact. energy: -0.908
local terms energy: -324.871903
where:
bonds (distance) C4'-P energy: -86.571
bonds (distance) P-C4' energy: -70.237
flat angles C4'-P-C4' energy: -89.188
flat angles P-C4'-P energy: -47.240
tors. eta vs tors. theta energy: -31.636
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: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -649.262680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.262680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.262680 (E_RNA)
where:
Base-Base interactions energy: -346.544
where: short stacking energy: -191.488
Base-Backbone interact. energy: -2.560
local terms energy: -300.158715
where:
bonds (distance) C4'-P energy: -88.281
bonds (distance) P-C4' energy: -79.829
flat angles C4'-P-C4' energy: -75.058
flat angles P-C4'-P energy: -43.820
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1827.701214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.701214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.701214 (E_RNA)
where:
Base-Base interactions energy: -1282.471
where: short stacking energy: -541.819
Base-Backbone interact. energy: 1.951
local terms energy: -547.181967
where:
bonds (distance) C4'-P energy: -99.513
bonds (distance) P-C4' energy: -100.438
flat angles C4'-P-C4' energy: -115.512
flat angles P-C4'-P energy: -71.362
tors. eta vs tors. theta energy: -160.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1786.484756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.484756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.484756 (E_RNA)
where:
Base-Base interactions energy: -1262.013
where: short stacking energy: -511.300
Base-Backbone interact. energy: -2.637
local terms energy: -521.835146
where:
bonds (distance) C4'-P energy: -98.216
bonds (distance) P-C4' energy: -93.229
flat angles C4'-P-C4' energy: -112.568
flat angles P-C4'-P energy: -80.040
tors. eta vs tors. theta energy: -137.782
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: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1745.549832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.549832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.549832 (E_RNA)
where:
Base-Base interactions energy: -1240.988
where: short stacking energy: -515.327
Base-Backbone interact. energy: 2.237
local terms energy: -506.799073
where:
bonds (distance) C4'-P energy: -87.136
bonds (distance) P-C4' energy: -84.505
flat angles C4'-P-C4' energy: -118.042
flat angles P-C4'-P energy: -75.476
tors. eta vs tors. theta energy: -141.640
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: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1675.404221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.404221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.404221 (E_RNA)
where:
Base-Base interactions energy: -1208.603
where: short stacking energy: -455.267
Base-Backbone interact. energy: -2.289
local terms energy: -464.511887
where:
bonds (distance) C4'-P energy: -89.950
bonds (distance) P-C4' energy: -85.530
flat angles C4'-P-C4' energy: -109.214
flat angles P-C4'-P energy: -56.830
tors. eta vs tors. theta energy: -122.987
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: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1560.921272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.921272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.921272 (E_RNA)
where:
Base-Base interactions energy: -1096.847
where: short stacking energy: -436.525
Base-Backbone interact. energy: 1.239
local terms energy: -465.312670
where:
bonds (distance) C4'-P energy: -99.351
bonds (distance) P-C4' energy: -88.854
flat angles C4'-P-C4' energy: -105.924
flat angles P-C4'-P energy: -59.281
tors. eta vs tors. theta energy: -111.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1405.626136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.626136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.626136 (E_RNA)
where:
Base-Base interactions energy: -971.201
where: short stacking energy: -399.661
Base-Backbone interact. energy: -0.134
local terms energy: -434.291068
where:
bonds (distance) C4'-P energy: -92.308
bonds (distance) P-C4' energy: -90.162
flat angles C4'-P-C4' energy: -94.392
flat angles P-C4'-P energy: -49.274
tors. eta vs tors. theta energy: -108.155
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: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1400.387420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.387420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.387420 (E_RNA)
where:
Base-Base interactions energy: -945.400
where: short stacking energy: -417.401
Base-Backbone interact. energy: 2.841
local terms energy: -457.828632
where:
bonds (distance) C4'-P energy: -89.335
bonds (distance) P-C4' energy: -76.820
flat angles C4'-P-C4' energy: -103.859
flat angles P-C4'-P energy: -64.911
tors. eta vs tors. theta energy: -122.904
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: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1194.052168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.052168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.052168 (E_RNA)
where:
Base-Base interactions energy: -811.136
where: short stacking energy: -353.312
Base-Backbone interact. energy: -2.977
local terms energy: -379.938917
where:
bonds (distance) C4'-P energy: -83.420
bonds (distance) P-C4' energy: -81.572
flat angles C4'-P-C4' energy: -88.981
flat angles P-C4'-P energy: -53.689
tors. eta vs tors. theta energy: -72.277
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: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -884.562679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.562679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.562679 (E_RNA)
where:
Base-Base interactions energy: -538.434
where: short stacking energy: -260.287
Base-Backbone interact. energy: -0.931
local terms energy: -345.198332
where:
bonds (distance) C4'-P energy: -92.848
bonds (distance) P-C4' energy: -71.449
flat angles C4'-P-C4' energy: -78.333
flat angles P-C4'-P energy: -49.595
tors. eta vs tors. theta energy: -52.972
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: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -689.715274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.715274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.715274 (E_RNA)
where:
Base-Base interactions energy: -384.701
where: short stacking energy: -197.899
Base-Backbone interact. energy: -1.510
local terms energy: -303.504691
where:
bonds (distance) C4'-P energy: -76.536
bonds (distance) P-C4' energy: -89.868
flat angles C4'-P-C4' energy: -74.478
flat angles P-C4'-P energy: -33.317
tors. eta vs tors. theta energy: -29.305
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: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1863.388886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.388886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.388886 (E_RNA)
where:
Base-Base interactions energy: -1313.623
where: short stacking energy: -552.800
Base-Backbone interact. energy: -5.634
local terms energy: -544.131680
where:
bonds (distance) C4'-P energy: -91.111
bonds (distance) P-C4' energy: -103.183
flat angles C4'-P-C4' energy: -119.379
flat angles P-C4'-P energy: -78.809
tors. eta vs tors. theta energy: -151.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1754.510521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.510521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.510521 (E_RNA)
where:
Base-Base interactions energy: -1227.295
where: short stacking energy: -487.561
Base-Backbone interact. energy: -1.413
local terms energy: -525.802258
where:
bonds (distance) C4'-P energy: -107.506
bonds (distance) P-C4' energy: -98.137
flat angles C4'-P-C4' energy: -107.392
flat angles P-C4'-P energy: -77.601
tors. eta vs tors. theta energy: -135.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1734.555644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.555644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.555644 (E_RNA)
where:
Base-Base interactions energy: -1198.710
where: short stacking energy: -507.184
Base-Backbone interact. energy: -3.496
local terms energy: -532.350035
where:
bonds (distance) C4'-P energy: -94.494
bonds (distance) P-C4' energy: -98.444
flat angles C4'-P-C4' energy: -111.945
flat angles P-C4'-P energy: -76.446
tors. eta vs tors. theta energy: -151.021
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: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1666.101263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.101263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.101263 (E_RNA)
where:
Base-Base interactions energy: -1180.999
where: short stacking energy: -469.458
Base-Backbone interact. energy: 0.023
local terms energy: -485.125174
where:
bonds (distance) C4'-P energy: -92.605
bonds (distance) P-C4' energy: -108.167
flat angles C4'-P-C4' energy: -109.795
flat angles P-C4'-P energy: -57.390
tors. eta vs tors. theta energy: -117.168
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: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1570.403221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.403221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.403221 (E_RNA)
where:
Base-Base interactions energy: -1101.431
where: short stacking energy: -435.324
Base-Backbone interact. energy: -1.770
local terms energy: -467.202723
where:
bonds (distance) C4'-P energy: -91.441
bonds (distance) P-C4' energy: -100.567
flat angles C4'-P-C4' energy: -110.393
flat angles P-C4'-P energy: -62.252
tors. eta vs tors. theta energy: -102.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1434.610659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.610659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.610659 (E_RNA)
where:
Base-Base interactions energy: -1004.826
where: short stacking energy: -428.547
Base-Backbone interact. energy: -0.070
local terms energy: -429.715477
where:
bonds (distance) C4'-P energy: -78.807
bonds (distance) P-C4' energy: -72.455
flat angles C4'-P-C4' energy: -95.973
flat angles P-C4'-P energy: -69.428
tors. eta vs tors. theta energy: -113.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1383.331866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.331866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.331866 (E_RNA)
where:
Base-Base interactions energy: -949.080
where: short stacking energy: -419.315
Base-Backbone interact. energy: 0.121
local terms energy: -434.372891
where:
bonds (distance) C4'-P energy: -72.152
bonds (distance) P-C4' energy: -93.241
flat angles C4'-P-C4' energy: -97.920
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: -119.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1260.353691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.353691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.353691 (E_RNA)
where:
Base-Base interactions energy: -865.644
where: short stacking energy: -374.882
Base-Backbone interact. energy: -0.999
local terms energy: -393.711081
where:
bonds (distance) C4'-P energy: -75.426
bonds (distance) P-C4' energy: -88.849
flat angles C4'-P-C4' energy: -90.907
flat angles P-C4'-P energy: -53.919
tors. eta vs tors. theta energy: -84.609
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: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -849.396674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.396674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.396674 (E_RNA)
where:
Base-Base interactions energy: -512.955
where: short stacking energy: -227.742
Base-Backbone interact. energy: -2.057
local terms energy: -334.384769
where:
bonds (distance) C4'-P energy: -78.858
bonds (distance) P-C4' energy: -101.659
flat angles C4'-P-C4' energy: -74.554
flat angles P-C4'-P energy: -50.813
tors. eta vs tors. theta energy: -28.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -669.416470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.416470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.416470 (E_RNA)
where:
Base-Base interactions energy: -379.602
where: short stacking energy: -204.596
Base-Backbone interact. energy: 1.257
local terms energy: -291.072036
where:
bonds (distance) C4'-P energy: -84.652
bonds (distance) P-C4' energy: -80.242
flat angles C4'-P-C4' energy: -65.981
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -20.626
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: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1864.159779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.159779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.159779 (E_RNA)
where:
Base-Base interactions energy: -1304.536
where: short stacking energy: -533.092
Base-Backbone interact. energy: -5.174
local terms energy: -554.450249
where:
bonds (distance) C4'-P energy: -103.473
bonds (distance) P-C4' energy: -104.695
flat angles C4'-P-C4' energy: -120.703
flat angles P-C4'-P energy: -72.709
tors. eta vs tors. theta energy: -152.870
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: 2, replica: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1794.737949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.737949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.737949 (E_RNA)
where:
Base-Base interactions energy: -1266.410
where: short stacking energy: -516.389
Base-Backbone interact. energy: -2.489
local terms energy: -525.839290
where:
bonds (distance) C4'-P energy: -102.935
bonds (distance) P-C4' energy: -92.318
flat angles C4'-P-C4' energy: -117.079
flat angles P-C4'-P energy: -59.571
tors. eta vs tors. theta energy: -153.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1709.719617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.719617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.719617 (E_RNA)
where:
Base-Base interactions energy: -1209.689
where: short stacking energy: -487.158
Base-Backbone interact. energy: -1.493
local terms energy: -498.536939
where:
bonds (distance) C4'-P energy: -96.451
bonds (distance) P-C4' energy: -96.791
flat angles C4'-P-C4' energy: -101.114
flat angles P-C4'-P energy: -74.118
tors. eta vs tors. theta energy: -130.063
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: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1696.895463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.895463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.895463 (E_RNA)
where:
Base-Base interactions energy: -1208.358
where: short stacking energy: -467.165
Base-Backbone interact. energy: -2.244
local terms energy: -486.293208
where:
bonds (distance) C4'-P energy: -89.105
bonds (distance) P-C4' energy: -104.752
flat angles C4'-P-C4' energy: -111.474
flat angles P-C4'-P energy: -60.193
tors. eta vs tors. theta energy: -120.770
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: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1558.820790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.820790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.820790 (E_RNA)
where:
Base-Base interactions energy: -1114.705
where: short stacking energy: -459.763
Base-Backbone interact. energy: -0.240
local terms energy: -443.875890
where:
bonds (distance) C4'-P energy: -82.607
bonds (distance) P-C4' energy: -88.920
flat angles C4'-P-C4' energy: -106.555
flat angles P-C4'-P energy: -67.147
tors. eta vs tors. theta energy: -98.646
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: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1433.136643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.136643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.136643 (E_RNA)
where:
Base-Base interactions energy: -982.248
where: short stacking energy: -431.178
Base-Backbone interact. energy: -2.953
local terms energy: -447.935141
where:
bonds (distance) C4'-P energy: -93.631
bonds (distance) P-C4' energy: -87.680
flat angles C4'-P-C4' energy: -89.338
flat angles P-C4'-P energy: -63.068
tors. eta vs tors. theta energy: -114.219
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: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1358.766709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.766709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.766709 (E_RNA)
where:
Base-Base interactions energy: -918.349
where: short stacking energy: -393.191
Base-Backbone interact. energy: -1.688
local terms energy: -438.729766
where:
bonds (distance) C4'-P energy: -80.406
bonds (distance) P-C4' energy: -84.352
flat angles C4'-P-C4' energy: -104.943
flat angles P-C4'-P energy: -63.737
tors. eta vs tors. theta energy: -105.291
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: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1223.553109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.553109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.553109 (E_RNA)
where:
Base-Base interactions energy: -864.085
where: short stacking energy: -368.341
Base-Backbone interact. energy: 0.587
local terms energy: -360.055101
where:
bonds (distance) C4'-P energy: -69.896
bonds (distance) P-C4' energy: -83.664
flat angles C4'-P-C4' energy: -92.557
flat angles P-C4'-P energy: -43.437
tors. eta vs tors. theta energy: -70.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -823.502619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.502619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.502619 (E_RNA)
where:
Base-Base interactions energy: -502.487
where: short stacking energy: -236.825
Base-Backbone interact. energy: 1.190
local terms energy: -322.205007
where:
bonds (distance) C4'-P energy: -68.141
bonds (distance) P-C4' energy: -84.815
flat angles C4'-P-C4' energy: -85.234
flat angles P-C4'-P energy: -55.801
tors. eta vs tors. theta energy: -28.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -726.899677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.899677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.899677 (E_RNA)
where:
Base-Base interactions energy: -413.543
where: short stacking energy: -211.104
Base-Backbone interact. energy: -1.702
local terms energy: -311.654559
where:
bonds (distance) C4'-P energy: -99.604
bonds (distance) P-C4' energy: -77.086
flat angles C4'-P-C4' energy: -84.226
flat angles P-C4'-P energy: -43.942
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1825.798746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.798746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.798746 (E_RNA)
where:
Base-Base interactions energy: -1265.230
where: short stacking energy: -529.491
Base-Backbone interact. energy: -3.117
local terms energy: -557.450934
where:
bonds (distance) C4'-P energy: -98.015
bonds (distance) P-C4' energy: -95.288
flat angles C4'-P-C4' energy: -123.991
flat angles P-C4'-P energy: -81.839
tors. eta vs tors. theta energy: -158.317
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: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1805.673076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.673076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.673076 (E_RNA)
where:
Base-Base interactions energy: -1284.368
where: short stacking energy: -519.950
Base-Backbone interact. energy: -0.426
local terms energy: -520.879251
where:
bonds (distance) C4'-P energy: -87.959
bonds (distance) P-C4' energy: -89.091
flat angles C4'-P-C4' energy: -116.980
flat angles P-C4'-P energy: -79.431
tors. eta vs tors. theta energy: -147.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1749.885797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.885797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.885797 (E_RNA)
where:
Base-Base interactions energy: -1241.253
where: short stacking energy: -483.525
Base-Backbone interact. energy: -0.422
local terms energy: -508.210730
where:
bonds (distance) C4'-P energy: -103.383
bonds (distance) P-C4' energy: -99.932
flat angles C4'-P-C4' energy: -120.125
flat angles P-C4'-P energy: -67.012
tors. eta vs tors. theta energy: -117.759
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: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1650.771136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.771136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.771136 (E_RNA)
where:
Base-Base interactions energy: -1166.729
where: short stacking energy: -489.555
Base-Backbone interact. energy: -1.718
local terms energy: -482.323312
where:
bonds (distance) C4'-P energy: -91.988
bonds (distance) P-C4' energy: -95.404
flat angles C4'-P-C4' energy: -106.728
flat angles P-C4'-P energy: -55.594
tors. eta vs tors. theta energy: -132.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1561.200235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.200235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.200235 (E_RNA)
where:
Base-Base interactions energy: -1092.257
where: short stacking energy: -438.345
Base-Backbone interact. energy: 4.609
local terms energy: -473.552003
where:
bonds (distance) C4'-P energy: -93.458
bonds (distance) P-C4' energy: -94.711
flat angles C4'-P-C4' energy: -107.367
flat angles P-C4'-P energy: -63.684
tors. eta vs tors. theta energy: -114.332
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: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1429.396396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.396396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.396396 (E_RNA)
where:
Base-Base interactions energy: -988.554
where: short stacking energy: -438.202
Base-Backbone interact. energy: 0.917
local terms energy: -441.759460
where:
bonds (distance) C4'-P energy: -81.448
bonds (distance) P-C4' energy: -95.086
flat angles C4'-P-C4' energy: -97.777
flat angles P-C4'-P energy: -64.212
tors. eta vs tors. theta energy: -103.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1369.171237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.171237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.171237 (E_RNA)
where:
Base-Base interactions energy: -938.123
where: short stacking energy: -367.718
Base-Backbone interact. energy: 0.774
local terms energy: -431.821497
where:
bonds (distance) C4'-P energy: -82.754
bonds (distance) P-C4' energy: -97.228
flat angles C4'-P-C4' energy: -97.602
flat angles P-C4'-P energy: -69.604
tors. eta vs tors. theta energy: -84.633
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: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1243.272361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.272361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.272361 (E_RNA)
where:
Base-Base interactions energy: -839.526
where: short stacking energy: -354.222
Base-Backbone interact. energy: 3.185
local terms energy: -406.931125
where:
bonds (distance) C4'-P energy: -76.608
bonds (distance) P-C4' energy: -98.234
flat angles C4'-P-C4' energy: -95.062
flat angles P-C4'-P energy: -55.869
tors. eta vs tors. theta energy: -81.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -894.603959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.603959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.603959 (E_RNA)
where:
Base-Base interactions energy: -566.374
where: short stacking energy: -250.392
Base-Backbone interact. energy: -1.048
local terms energy: -327.181960
where:
bonds (distance) C4'-P energy: -84.801
bonds (distance) P-C4' energy: -77.570
flat angles C4'-P-C4' energy: -82.279
flat angles P-C4'-P energy: -50.305
tors. eta vs tors. theta energy: -32.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -640.413935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.413935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.413935 (E_RNA)
where:
Base-Base interactions energy: -396.008
where: short stacking energy: -187.241
Base-Backbone interact. energy: 4.896
local terms energy: -249.301446
where:
bonds (distance) C4'-P energy: -63.687
bonds (distance) P-C4' energy: -77.526
flat angles C4'-P-C4' energy: -63.744
flat angles P-C4'-P energy: -39.467
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1860.688359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.688359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.688359 (E_RNA)
where:
Base-Base interactions energy: -1295.215
where: short stacking energy: -539.365
Base-Backbone interact. energy: -4.300
local terms energy: -561.173647
where:
bonds (distance) C4'-P energy: -108.897
bonds (distance) P-C4' energy: -102.238
flat angles C4'-P-C4' energy: -109.559
flat angles P-C4'-P energy: -83.683
tors. eta vs tors. theta energy: -156.798
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: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1829.329132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.329132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.329132 (E_RNA)
where:
Base-Base interactions energy: -1295.945
where: short stacking energy: -512.162
Base-Backbone interact. energy: -1.161
local terms energy: -532.222828
where:
bonds (distance) C4'-P energy: -98.350
bonds (distance) P-C4' energy: -98.035
flat angles C4'-P-C4' energy: -113.856
flat angles P-C4'-P energy: -77.468
tors. eta vs tors. theta energy: -144.514
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: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1736.288070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.288070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.288070 (E_RNA)
where:
Base-Base interactions energy: -1245.686
where: short stacking energy: -484.583
Base-Backbone interact. energy: -5.004
local terms energy: -485.597256
where:
bonds (distance) C4'-P energy: -71.664
bonds (distance) P-C4' energy: -104.956
flat angles C4'-P-C4' energy: -117.560
flat angles P-C4'-P energy: -71.372
tors. eta vs tors. theta energy: -120.046
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: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1663.069741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.069741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.069741 (E_RNA)
where:
Base-Base interactions energy: -1150.413
where: short stacking energy: -478.210
Base-Backbone interact. energy: -2.589
local terms energy: -510.067359
where:
bonds (distance) C4'-P energy: -100.485
bonds (distance) P-C4' energy: -87.011
flat angles C4'-P-C4' energy: -114.861
flat angles P-C4'-P energy: -75.436
tors. eta vs tors. theta energy: -132.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1543.583643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.583643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.583643 (E_RNA)
where:
Base-Base interactions energy: -1070.803
where: short stacking energy: -457.971
Base-Backbone interact. energy: -0.221
local terms energy: -472.559570
where:
bonds (distance) C4'-P energy: -81.014
bonds (distance) P-C4' energy: -111.774
flat angles C4'-P-C4' energy: -108.682
flat angles P-C4'-P energy: -66.768
tors. eta vs tors. theta energy: -104.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1450.836125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.836125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.836125 (E_RNA)
where:
Base-Base interactions energy: -1012.065
where: short stacking energy: -430.727
Base-Backbone interact. energy: -2.003
local terms energy: -436.768766
where:
bonds (distance) C4'-P energy: -88.920
bonds (distance) P-C4' energy: -75.573
flat angles C4'-P-C4' energy: -96.002
flat angles P-C4'-P energy: -60.953
tors. eta vs tors. theta energy: -115.321
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: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1342.724357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.724357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.724357 (E_RNA)
where:
Base-Base interactions energy: -932.443
where: short stacking energy: -368.554
Base-Backbone interact. energy: -1.852
local terms energy: -408.429040
where:
bonds (distance) C4'-P energy: -84.641
bonds (distance) P-C4' energy: -95.588
flat angles C4'-P-C4' energy: -100.074
flat angles P-C4'-P energy: -45.163
tors. eta vs tors. theta energy: -82.964
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: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1253.986819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.986819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.986819 (E_RNA)
where:
Base-Base interactions energy: -832.406
where: short stacking energy: -359.966
Base-Backbone interact. energy: 0.330
local terms energy: -421.910712
where:
bonds (distance) C4'-P energy: -85.299
bonds (distance) P-C4' energy: -83.853
flat angles C4'-P-C4' energy: -107.918
flat angles P-C4'-P energy: -67.418
tors. eta vs tors. theta energy: -77.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -802.945930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.945930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.945930 (E_RNA)
where:
Base-Base interactions energy: -478.744
where: short stacking energy: -235.840
Base-Backbone interact. energy: -0.314
local terms energy: -323.887686
where:
bonds (distance) C4'-P energy: -74.764
bonds (distance) P-C4' energy: -90.178
flat angles C4'-P-C4' energy: -85.209
flat angles P-C4'-P energy: -44.227
tors. eta vs tors. theta energy: -29.509
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: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -678.181811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.181811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.181811 (E_RNA)
where:
Base-Base interactions energy: -405.941
where: short stacking energy: -194.907
Base-Backbone interact. energy: 2.485
local terms energy: -274.725303
where:
bonds (distance) C4'-P energy: -72.715
bonds (distance) P-C4' energy: -76.776
flat angles C4'-P-C4' energy: -66.618
flat angles P-C4'-P energy: -50.025
tors. eta vs tors. theta energy: -8.591
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: 368
Temperature: 0.900000
Total energy: -1846.805156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.805156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.805156 (E_RNA)
where:
Base-Base interactions energy: -1291.908
where: short stacking energy: -537.709
Base-Backbone interact. energy: -5.806
local terms energy: -549.090867
where:
bonds (distance) C4'-P energy: -102.725
bonds (distance) P-C4' energy: -93.941
flat angles C4'-P-C4' energy: -116.445
flat angles P-C4'-P energy: -82.495
tors. eta vs tors. theta energy: -153.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1771.100394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.100394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.100394 (E_RNA)
where:
Base-Base interactions energy: -1229.516
where: short stacking energy: -501.047
Base-Backbone interact. energy: -1.534
local terms energy: -540.050420
where:
bonds (distance) C4'-P energy: -102.530
bonds (distance) P-C4' energy: -108.309
flat angles C4'-P-C4' energy: -105.529
flat angles P-C4'-P energy: -85.042
tors. eta vs tors. theta energy: -138.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1747.911271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.911271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.911271 (E_RNA)
where:
Base-Base interactions energy: -1243.043
where: short stacking energy: -487.034
Base-Backbone interact. energy: -2.491
local terms energy: -502.377233
where:
bonds (distance) C4'-P energy: -91.794
bonds (distance) P-C4' energy: -98.144
flat angles C4'-P-C4' energy: -111.440
flat angles P-C4'-P energy: -72.248
tors. eta vs tors. theta energy: -128.751
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: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1666.815012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.815012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.815012 (E_RNA)
where:
Base-Base interactions energy: -1193.581
where: short stacking energy: -458.590
Base-Backbone interact. energy: -2.938
local terms energy: -470.296204
where:
bonds (distance) C4'-P energy: -77.809
bonds (distance) P-C4' energy: -89.778
flat angles C4'-P-C4' energy: -108.715
flat angles P-C4'-P energy: -69.715
tors. eta vs tors. theta energy: -124.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1551.906021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.906021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.906021 (E_RNA)
where:
Base-Base interactions energy: -1093.263
where: short stacking energy: -448.857
Base-Backbone interact. energy: -0.596
local terms energy: -458.046941
where:
bonds (distance) C4'-P energy: -79.366
bonds (distance) P-C4' energy: -83.526
flat angles C4'-P-C4' energy: -112.255
flat angles P-C4'-P energy: -68.290
tors. eta vs tors. theta energy: -114.609
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: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1397.408490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.408490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.408490 (E_RNA)
where:
Base-Base interactions energy: -934.518
where: short stacking energy: -394.241
Base-Backbone interact. energy: 1.039
local terms energy: -463.929858
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -95.062
flat angles C4'-P-C4' energy: -104.656
flat angles P-C4'-P energy: -66.876
tors. eta vs tors. theta energy: -101.268
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: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1358.878181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.878181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.878181 (E_RNA)
where:
Base-Base interactions energy: -923.035
where: short stacking energy: -389.980
Base-Backbone interact. energy: -2.088
local terms energy: -433.754569
where:
bonds (distance) C4'-P energy: -102.179
bonds (distance) P-C4' energy: -83.793
flat angles C4'-P-C4' energy: -97.971
flat angles P-C4'-P energy: -54.329
tors. eta vs tors. theta energy: -95.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1224.878242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.878242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.878242 (E_RNA)
where:
Base-Base interactions energy: -812.717
where: short stacking energy: -337.482
Base-Backbone interact. energy: -1.269
local terms energy: -410.891531
where:
bonds (distance) C4'-P energy: -100.458
bonds (distance) P-C4' energy: -78.625
flat angles C4'-P-C4' energy: -100.213
flat angles P-C4'-P energy: -55.545
tors. eta vs tors. theta energy: -76.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -789.642978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.642978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.642978 (E_RNA)
where:
Base-Base interactions energy: -449.655
where: short stacking energy: -232.522
Base-Backbone interact. energy: 0.454
local terms energy: -340.442172
where:
bonds (distance) C4'-P energy: -78.570
bonds (distance) P-C4' energy: -87.043
flat angles C4'-P-C4' energy: -103.601
flat angles P-C4'-P energy: -41.471
tors. eta vs tors. theta energy: -29.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -682.037109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.037109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.037109 (E_RNA)
where:
Base-Base interactions energy: -404.374
where: short stacking energy: -208.560
Base-Backbone interact. energy: -2.017
local terms energy: -275.645357
where:
bonds (distance) C4'-P energy: -66.198
bonds (distance) P-C4' energy: -90.049
flat angles C4'-P-C4' energy: -68.591
flat angles P-C4'-P energy: -40.572
tors. eta vs tors. theta energy: -10.235
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: 369
Temperature: 0.900000
Total energy: -1840.600237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.600237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.600237 (E_RNA)
where:
Base-Base interactions energy: -1286.671
where: short stacking energy: -533.373
Base-Backbone interact. energy: -0.550
local terms energy: -553.378898
where:
bonds (distance) C4'-P energy: -110.632
bonds (distance) P-C4' energy: -106.872
flat angles C4'-P-C4' energy: -109.243
flat angles P-C4'-P energy: -73.191
tors. eta vs tors. theta energy: -153.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1779.526652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.526652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.526652 (E_RNA)
where:
Base-Base interactions energy: -1225.853
where: short stacking energy: -508.339
Base-Backbone interact. energy: 2.907
local terms energy: -556.580121
where:
bonds (distance) C4'-P energy: -99.475
bonds (distance) P-C4' energy: -105.433
flat angles C4'-P-C4' energy: -114.557
flat angles P-C4'-P energy: -88.901
tors. eta vs tors. theta energy: -148.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1739.856087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.856087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.856087 (E_RNA)
where:
Base-Base interactions energy: -1233.264
where: short stacking energy: -483.611
Base-Backbone interact. energy: -2.311
local terms energy: -504.281102
where:
bonds (distance) C4'-P energy: -93.471
bonds (distance) P-C4' energy: -95.218
flat angles C4'-P-C4' energy: -110.957
flat angles P-C4'-P energy: -84.579
tors. eta vs tors. theta energy: -120.057
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: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1670.438068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.438068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.438068 (E_RNA)
where:
Base-Base interactions energy: -1199.511
where: short stacking energy: -457.123
Base-Backbone interact. energy: -1.781
local terms energy: -469.146098
where:
bonds (distance) C4'-P energy: -101.910
bonds (distance) P-C4' energy: -78.969
flat angles C4'-P-C4' energy: -106.162
flat angles P-C4'-P energy: -61.543
tors. eta vs tors. theta energy: -120.562
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: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1557.104801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.104801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.104801 (E_RNA)
where:
Base-Base interactions energy: -1120.732
where: short stacking energy: -439.207
Base-Backbone interact. energy: 1.288
local terms energy: -437.660692
where:
bonds (distance) C4'-P energy: -73.131
bonds (distance) P-C4' energy: -92.587
flat angles C4'-P-C4' energy: -104.517
flat angles P-C4'-P energy: -57.693
tors. eta vs tors. theta energy: -109.733
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: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1375.148350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.148350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.148350 (E_RNA)
where:
Base-Base interactions energy: -971.165
where: short stacking energy: -385.168
Base-Backbone interact. energy: -0.478
local terms energy: -403.506072
where:
bonds (distance) C4'-P energy: -70.225
bonds (distance) P-C4' energy: -79.738
flat angles C4'-P-C4' energy: -100.618
flat angles P-C4'-P energy: -68.536
tors. eta vs tors. theta energy: -84.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1370.712189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.712189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.712189 (E_RNA)
where:
Base-Base interactions energy: -924.875
where: short stacking energy: -387.422
Base-Backbone interact. energy: -1.168
local terms energy: -444.669647
where:
bonds (distance) C4'-P energy: -77.312
bonds (distance) P-C4' energy: -85.443
flat angles C4'-P-C4' energy: -105.691
flat angles P-C4'-P energy: -68.394
tors. eta vs tors. theta energy: -107.829
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: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1253.871060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.871060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.871060 (E_RNA)
where:
Base-Base interactions energy: -867.594
where: short stacking energy: -373.532
Base-Backbone interact. energy: -2.713
local terms energy: -383.564775
where:
bonds (distance) C4'-P energy: -97.249
bonds (distance) P-C4' energy: -73.808
flat angles C4'-P-C4' energy: -79.443
flat angles P-C4'-P energy: -62.959
tors. eta vs tors. theta energy: -70.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -796.512267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.512267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.512267 (E_RNA)
where:
Base-Base interactions energy: -469.398
where: short stacking energy: -238.308
Base-Backbone interact. energy: 9.384
local terms energy: -336.498383
where:
bonds (distance) C4'-P energy: -85.293
bonds (distance) P-C4' energy: -84.594
flat angles C4'-P-C4' energy: -87.291
flat angles P-C4'-P energy: -47.463
tors. eta vs tors. theta energy: -31.858
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: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -643.163320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.163320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.163320 (E_RNA)
where:
Base-Base interactions energy: -375.171
where: short stacking energy: -188.197
Base-Backbone interact. energy: -1.365
local terms energy: -266.627040
where:
bonds (distance) C4'-P energy: -71.608
bonds (distance) P-C4' energy: -75.224
flat angles C4'-P-C4' energy: -71.390
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -10.230
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: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1856.184295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.184295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.184295 (E_RNA)
where:
Base-Base interactions energy: -1329.167
where: short stacking energy: -533.571
Base-Backbone interact. energy: -1.448
local terms energy: -525.569061
where:
bonds (distance) C4'-P energy: -90.728
bonds (distance) P-C4' energy: -96.942
flat angles C4'-P-C4' energy: -115.439
flat angles P-C4'-P energy: -77.692
tors. eta vs tors. theta energy: -144.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1815.152345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.152345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.152345 (E_RNA)
where:
Base-Base interactions energy: -1266.528
where: short stacking energy: -523.991
Base-Backbone interact. energy: -4.291
local terms energy: -544.332750
where:
bonds (distance) C4'-P energy: -105.193
bonds (distance) P-C4' energy: -108.241
flat angles C4'-P-C4' energy: -103.184
flat angles P-C4'-P energy: -84.602
tors. eta vs tors. theta energy: -143.112
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: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1699.815467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.815467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.815467 (E_RNA)
where:
Base-Base interactions energy: -1224.949
where: short stacking energy: -475.158
Base-Backbone interact. energy: 2.813
local terms energy: -477.679113
where:
bonds (distance) C4'-P energy: -86.830
bonds (distance) P-C4' energy: -94.483
flat angles C4'-P-C4' energy: -102.988
flat angles P-C4'-P energy: -70.525
tors. eta vs tors. theta energy: -122.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1696.343672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.343672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.343672 (E_RNA)
where:
Base-Base interactions energy: -1223.528
where: short stacking energy: -475.309
Base-Backbone interact. energy: -1.451
local terms energy: -471.364963
where:
bonds (distance) C4'-P energy: -85.543
bonds (distance) P-C4' energy: -87.742
flat angles C4'-P-C4' energy: -107.080
flat angles P-C4'-P energy: -73.248
tors. eta vs tors. theta energy: -117.753
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: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1588.949545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.949545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.949545 (E_RNA)
where:
Base-Base interactions energy: -1109.215
where: short stacking energy: -462.614
Base-Backbone interact. energy: -0.983
local terms energy: -478.751935
where:
bonds (distance) C4'-P energy: -83.413
bonds (distance) P-C4' energy: -109.721
flat angles C4'-P-C4' energy: -114.127
flat angles P-C4'-P energy: -53.921
tors. eta vs tors. theta energy: -117.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1375.654515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.654515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.654515 (E_RNA)
where:
Base-Base interactions energy: -921.272
where: short stacking energy: -369.267
Base-Backbone interact. energy: 0.932
local terms energy: -455.314598
where:
bonds (distance) C4'-P energy: -96.694
bonds (distance) P-C4' energy: -95.484
flat angles C4'-P-C4' energy: -102.821
flat angles P-C4'-P energy: -59.745
tors. eta vs tors. theta energy: -100.571
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: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1331.224589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.224589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.224589 (E_RNA)
where:
Base-Base interactions energy: -928.950
where: short stacking energy: -394.981
Base-Backbone interact. energy: -3.170
local terms energy: -399.104949
where:
bonds (distance) C4'-P energy: -76.697
bonds (distance) P-C4' energy: -83.790
flat angles C4'-P-C4' energy: -87.267
flat angles P-C4'-P energy: -43.444
tors. eta vs tors. theta energy: -107.907
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: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1299.027009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.027009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.027009 (E_RNA)
where:
Base-Base interactions energy: -875.197
where: short stacking energy: -363.617
Base-Backbone interact. energy: -1.931
local terms energy: -421.899465
where:
bonds (distance) C4'-P energy: -77.892
bonds (distance) P-C4' energy: -87.441
flat angles C4'-P-C4' energy: -100.269
flat angles P-C4'-P energy: -67.152
tors. eta vs tors. theta energy: -89.146
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: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -773.801314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.801314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.801314 (E_RNA)
where:
Base-Base interactions energy: -465.424
where: short stacking energy: -221.690
Base-Backbone interact. energy: -0.231
local terms energy: -308.146336
where:
bonds (distance) C4'-P energy: -82.684
bonds (distance) P-C4' energy: -82.339
flat angles C4'-P-C4' energy: -86.057
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -606.366089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.366089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.366089 (E_RNA)
where:
Base-Base interactions energy: -301.090
where: short stacking energy: -151.777
Base-Backbone interact. energy: -1.266
local terms energy: -304.010288
where:
bonds (distance) C4'-P energy: -82.031
bonds (distance) P-C4' energy: -94.316
flat angles C4'-P-C4' energy: -77.245
flat angles P-C4'-P energy: -52.135
tors. eta vs tors. theta energy: 1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1867.426910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.426910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.426910 (E_RNA)
where:
Base-Base interactions energy: -1283.459
where: short stacking energy: -522.907
Base-Backbone interact. energy: -5.050
local terms energy: -578.917810
where:
bonds (distance) C4'-P energy: -108.676
bonds (distance) P-C4' energy: -110.113
flat angles C4'-P-C4' energy: -124.908
flat angles P-C4'-P energy: -80.048
tors. eta vs tors. theta energy: -155.173
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: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1799.134407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.134407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.134407 (E_RNA)
where:
Base-Base interactions energy: -1282.734
where: short stacking energy: -508.486
Base-Backbone interact. energy: -4.247
local terms energy: -512.152523
where:
bonds (distance) C4'-P energy: -79.245
bonds (distance) P-C4' energy: -98.016
flat angles C4'-P-C4' energy: -114.999
flat angles P-C4'-P energy: -74.803
tors. eta vs tors. theta energy: -145.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1708.854817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.854817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.854817 (E_RNA)
where:
Base-Base interactions energy: -1218.561
where: short stacking energy: -484.170
Base-Backbone interact. energy: -1.215
local terms energy: -489.078793
where:
bonds (distance) C4'-P energy: -88.840
bonds (distance) P-C4' energy: -93.000
flat angles C4'-P-C4' energy: -99.166
flat angles P-C4'-P energy: -87.109
tors. eta vs tors. theta energy: -120.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1647.908662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.908662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.908662 (E_RNA)
where:
Base-Base interactions energy: -1174.061
where: short stacking energy: -477.425
Base-Backbone interact. energy: -0.902
local terms energy: -472.945530
where:
bonds (distance) C4'-P energy: -80.540
bonds (distance) P-C4' energy: -93.616
flat angles C4'-P-C4' energy: -114.120
flat angles P-C4'-P energy: -62.323
tors. eta vs tors. theta energy: -122.347
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: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1574.484090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.484090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.484090 (E_RNA)
where:
Base-Base interactions energy: -1124.668
where: short stacking energy: -458.741
Base-Backbone interact. energy: 2.326
local terms energy: -452.142045
where:
bonds (distance) C4'-P energy: -85.597
bonds (distance) P-C4' energy: -87.169
flat angles C4'-P-C4' energy: -90.906
flat angles P-C4'-P energy: -78.463
tors. eta vs tors. theta energy: -110.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1400.426706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.426706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.426706 (E_RNA)
where:
Base-Base interactions energy: -941.740
where: short stacking energy: -401.386
Base-Backbone interact. energy: -1.462
local terms energy: -457.225112
where:
bonds (distance) C4'-P energy: -90.678
bonds (distance) P-C4' energy: -95.893
flat angles C4'-P-C4' energy: -90.850
flat angles P-C4'-P energy: -74.961
tors. eta vs tors. theta energy: -104.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1376.150825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.150825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.150825 (E_RNA)
where:
Base-Base interactions energy: -939.459
where: short stacking energy: -392.517
Base-Backbone interact. energy: -1.457
local terms energy: -435.235201
where:
bonds (distance) C4'-P energy: -98.802
bonds (distance) P-C4' energy: -74.909
flat angles C4'-P-C4' energy: -101.366
flat angles P-C4'-P energy: -61.989
tors. eta vs tors. theta energy: -98.169
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: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1377.694400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.694400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.694400 (E_RNA)
where:
Base-Base interactions energy: -971.519
where: short stacking energy: -411.687
Base-Backbone interact. energy: -1.111
local terms energy: -405.064557
where:
bonds (distance) C4'-P energy: -60.529
bonds (distance) P-C4' energy: -78.599
flat angles C4'-P-C4' energy: -104.474
flat angles P-C4'-P energy: -57.850
tors. eta vs tors. theta energy: -103.613
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: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -827.777155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.777155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.777155 (E_RNA)
where:
Base-Base interactions energy: -478.946
where: short stacking energy: -255.426
Base-Backbone interact. energy: -2.211
local terms energy: -346.620350
where:
bonds (distance) C4'-P energy: -87.366
bonds (distance) P-C4' energy: -77.791
flat angles C4'-P-C4' energy: -78.685
flat angles P-C4'-P energy: -56.142
tors. eta vs tors. theta energy: -46.636
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: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -614.503360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.503360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.503360 (E_RNA)
where:
Base-Base interactions energy: -334.759
where: short stacking energy: -190.141
Base-Backbone interact. energy: 0.641
local terms energy: -280.386075
where:
bonds (distance) C4'-P energy: -56.586
bonds (distance) P-C4' energy: -103.967
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -45.794
tors. eta vs tors. theta energy: -13.275
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: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1869.462193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.462193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.462193 (E_RNA)
where:
Base-Base interactions energy: -1298.039
where: short stacking energy: -539.176
Base-Backbone interact. energy: -2.421
local terms energy: -569.002333
where:
bonds (distance) C4'-P energy: -107.515
bonds (distance) P-C4' energy: -109.980
flat angles C4'-P-C4' energy: -119.559
flat angles P-C4'-P energy: -74.589
tors. eta vs tors. theta energy: -157.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1812.065785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.065785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.065785 (E_RNA)
where:
Base-Base interactions energy: -1276.617
where: short stacking energy: -529.697
Base-Backbone interact. energy: -5.152
local terms energy: -530.297022
where:
bonds (distance) C4'-P energy: -96.043
bonds (distance) P-C4' energy: -99.530
flat angles C4'-P-C4' energy: -121.469
flat angles P-C4'-P energy: -61.019
tors. eta vs tors. theta energy: -152.237
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: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1729.629031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.629031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.629031 (E_RNA)
where:
Base-Base interactions energy: -1255.559
where: short stacking energy: -480.228
Base-Backbone interact. energy: -5.357
local terms energy: -468.712958
where:
bonds (distance) C4'-P energy: -92.721
bonds (distance) P-C4' energy: -87.697
flat angles C4'-P-C4' energy: -110.646
flat angles P-C4'-P energy: -61.820
tors. eta vs tors. theta energy: -115.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1643.918388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.918388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.918388 (E_RNA)
where:
Base-Base interactions energy: -1142.986
where: short stacking energy: -471.026
Base-Backbone interact. energy: -4.095
local terms energy: -496.837842
where:
bonds (distance) C4'-P energy: -83.679
bonds (distance) P-C4' energy: -101.414
flat angles C4'-P-C4' energy: -106.376
flat angles P-C4'-P energy: -78.925
tors. eta vs tors. theta energy: -126.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1546.626198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.626198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.626198 (E_RNA)
where:
Base-Base interactions energy: -1072.954
where: short stacking energy: -445.323
Base-Backbone interact. energy: -3.874
local terms energy: -469.797853
where:
bonds (distance) C4'-P energy: -84.746
bonds (distance) P-C4' energy: -97.664
flat angles C4'-P-C4' energy: -110.745
flat angles P-C4'-P energy: -68.959
tors. eta vs tors. theta energy: -107.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1389.913227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.913227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.913227 (E_RNA)
where:
Base-Base interactions energy: -959.600
where: short stacking energy: -391.472
Base-Backbone interact. energy: -1.092
local terms energy: -429.221952
where:
bonds (distance) C4'-P energy: -99.569
bonds (distance) P-C4' energy: -86.596
flat angles C4'-P-C4' energy: -92.054
flat angles P-C4'-P energy: -60.579
tors. eta vs tors. theta energy: -90.424
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: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1373.809002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.809002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.809002 (E_RNA)
where:
Base-Base interactions energy: -936.568
where: short stacking energy: -400.261
Base-Backbone interact. energy: -1.097
local terms energy: -436.144025
where:
bonds (distance) C4'-P energy: -75.949
bonds (distance) P-C4' energy: -86.528
flat angles C4'-P-C4' energy: -111.951
flat angles P-C4'-P energy: -59.871
tors. eta vs tors. theta energy: -101.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1303.311720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.311720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.311720 (E_RNA)
where:
Base-Base interactions energy: -903.680
where: short stacking energy: -347.604
Base-Backbone interact. energy: -0.506
local terms energy: -399.125598
where:
bonds (distance) C4'-P energy: -81.776
bonds (distance) P-C4' energy: -79.176
flat angles C4'-P-C4' energy: -91.413
flat angles P-C4'-P energy: -56.954
tors. eta vs tors. theta energy: -89.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -802.692129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.692129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.692129 (E_RNA)
where:
Base-Base interactions energy: -460.972
where: short stacking energy: -239.326
Base-Backbone interact. energy: 7.263
local terms energy: -348.983026
where:
bonds (distance) C4'-P energy: -90.652
bonds (distance) P-C4' energy: -90.950
flat angles C4'-P-C4' energy: -86.207
flat angles P-C4'-P energy: -51.048
tors. eta vs tors. theta energy: -30.126
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: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -552.293199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.293199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.293199 (E_RNA)
where:
Base-Base interactions energy: -278.497
where: short stacking energy: -155.705
Base-Backbone interact. energy: 3.948
local terms energy: -277.743775
where:
bonds (distance) C4'-P energy: -82.229
bonds (distance) P-C4' energy: -90.377
flat angles C4'-P-C4' energy: -62.843
flat angles P-C4'-P energy: -49.528
tors. eta vs tors. theta energy: 7.234
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: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1870.798850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.798850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.798850 (E_RNA)
where:
Base-Base interactions energy: -1319.249
where: short stacking energy: -541.965
Base-Backbone interact. energy: -6.323
local terms energy: -545.227200
where:
bonds (distance) C4'-P energy: -110.591
bonds (distance) P-C4' energy: -98.331
flat angles C4'-P-C4' energy: -114.598
flat angles P-C4'-P energy: -69.650
tors. eta vs tors. theta energy: -152.056
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: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1802.664835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.664835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.664835 (E_RNA)
where:
Base-Base interactions energy: -1273.468
where: short stacking energy: -515.676
Base-Backbone interact. energy: -3.438
local terms energy: -525.758640
where:
bonds (distance) C4'-P energy: -90.829
bonds (distance) P-C4' energy: -100.983
flat angles C4'-P-C4' energy: -107.900
flat angles P-C4'-P energy: -82.028
tors. eta vs tors. theta energy: -144.018
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: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1741.040309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.040309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.040309 (E_RNA)
where:
Base-Base interactions energy: -1254.484
where: short stacking energy: -489.035
Base-Backbone interact. energy: -3.897
local terms energy: -482.658454
where:
bonds (distance) C4'-P energy: -79.663
bonds (distance) P-C4' energy: -94.427
flat angles C4'-P-C4' energy: -112.466
flat angles P-C4'-P energy: -68.368
tors. eta vs tors. theta energy: -127.734
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1639.842729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.842729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.842729 (E_RNA)
where:
Base-Base interactions energy: -1135.890
where: short stacking energy: -452.560
Base-Backbone interact. energy: -6.780
local terms energy: -497.172641
where:
bonds (distance) C4'-P energy: -100.529
bonds (distance) P-C4' energy: -99.277
flat angles C4'-P-C4' energy: -106.102
flat angles P-C4'-P energy: -78.068
tors. eta vs tors. theta energy: -113.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1561.745769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.745769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.745769 (E_RNA)
where:
Base-Base interactions energy: -1099.570
where: short stacking energy: -452.013
Base-Backbone interact. energy: -0.350
local terms energy: -461.824950
where:
bonds (distance) C4'-P energy: -81.257
bonds (distance) P-C4' energy: -92.316
flat angles C4'-P-C4' energy: -105.900
flat angles P-C4'-P energy: -70.001
tors. eta vs tors. theta energy: -112.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1376.357393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.357393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.357393 (E_RNA)
where:
Base-Base interactions energy: -928.728
where: short stacking energy: -394.224
Base-Backbone interact. energy: -1.067
local terms energy: -446.562586
where:
bonds (distance) C4'-P energy: -84.744
bonds (distance) P-C4' energy: -93.750
flat angles C4'-P-C4' energy: -104.151
flat angles P-C4'-P energy: -52.845
tors. eta vs tors. theta energy: -111.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1346.477735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.477735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.477735 (E_RNA)
where:
Base-Base interactions energy: -907.315
where: short stacking energy: -384.372
Base-Backbone interact. energy: -0.877
local terms energy: -438.285181
where:
bonds (distance) C4'-P energy: -95.053
bonds (distance) P-C4' energy: -92.145
flat angles C4'-P-C4' energy: -93.541
flat angles P-C4'-P energy: -64.847
tors. eta vs tors. theta energy: -92.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1274.779690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.779690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.779690 (E_RNA)
where:
Base-Base interactions energy: -890.842
where: short stacking energy: -369.507
Base-Backbone interact. energy: -1.687
local terms energy: -382.251601
where:
bonds (distance) C4'-P energy: -66.152
bonds (distance) P-C4' energy: -74.603
flat angles C4'-P-C4' energy: -89.851
flat angles P-C4'-P energy: -57.432
tors. eta vs tors. theta energy: -94.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -830.041874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.041874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.041874 (E_RNA)
where:
Base-Base interactions energy: -485.685
where: short stacking energy: -259.078
Base-Backbone interact. energy: 0.668
local terms energy: -345.025115
where:
bonds (distance) C4'-P energy: -81.780
bonds (distance) P-C4' energy: -77.338
flat angles C4'-P-C4' energy: -98.133
flat angles P-C4'-P energy: -56.104
tors. eta vs tors. theta energy: -31.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -538.611382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.611382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.611382 (E_RNA)
where:
Base-Base interactions energy: -280.484
where: short stacking energy: -176.410
Base-Backbone interact. energy: -1.481
local terms energy: -256.646323
where:
bonds (distance) C4'-P energy: -64.925
bonds (distance) P-C4' energy: -79.790
flat angles C4'-P-C4' energy: -65.936
flat angles P-C4'-P energy: -38.343
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1859.276677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.276677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.276677 (E_RNA)
where:
Base-Base interactions energy: -1297.619
where: short stacking energy: -537.844
Base-Backbone interact. energy: -1.047
local terms energy: -560.610723
where:
bonds (distance) C4'-P energy: -113.747
bonds (distance) P-C4' energy: -98.702
flat angles C4'-P-C4' energy: -117.305
flat angles P-C4'-P energy: -80.259
tors. eta vs tors. theta energy: -150.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1804.748588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.748588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.748588 (E_RNA)
where:
Base-Base interactions energy: -1296.688
where: short stacking energy: -515.723
Base-Backbone interact. energy: 2.043
local terms energy: -510.104108
where:
bonds (distance) C4'-P energy: -106.198
bonds (distance) P-C4' energy: -90.963
flat angles C4'-P-C4' energy: -100.437
flat angles P-C4'-P energy: -71.339
tors. eta vs tors. theta energy: -141.168
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: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1707.824090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.824090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.824090 (E_RNA)
where:
Base-Base interactions energy: -1223.034
where: short stacking energy: -487.058
Base-Backbone interact. energy: -3.762
local terms energy: -481.028000
where:
bonds (distance) C4'-P energy: -88.670
bonds (distance) P-C4' energy: -99.986
flat angles C4'-P-C4' energy: -100.038
flat angles P-C4'-P energy: -64.964
tors. eta vs tors. theta energy: -127.369
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: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1623.348043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.348043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.348043 (E_RNA)
where:
Base-Base interactions energy: -1158.385
where: short stacking energy: -477.177
Base-Backbone interact. energy: -1.908
local terms energy: -463.054878
where:
bonds (distance) C4'-P energy: -95.862
bonds (distance) P-C4' energy: -98.096
flat angles C4'-P-C4' energy: -111.229
flat angles P-C4'-P energy: -50.369
tors. eta vs tors. theta energy: -107.498
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: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1588.565806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.565806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.565806 (E_RNA)
where:
Base-Base interactions energy: -1124.116
where: short stacking energy: -447.321
Base-Backbone interact. energy: -1.632
local terms energy: -462.817791
where:
bonds (distance) C4'-P energy: -86.896
bonds (distance) P-C4' energy: -102.811
flat angles C4'-P-C4' energy: -93.074
flat angles P-C4'-P energy: -67.947
tors. eta vs tors. theta energy: -112.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1391.370467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.370467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.370467 (E_RNA)
where:
Base-Base interactions energy: -959.357
where: short stacking energy: -408.594
Base-Backbone interact. energy: -1.456
local terms energy: -430.557874
where:
bonds (distance) C4'-P energy: -79.770
bonds (distance) P-C4' energy: -95.856
flat angles C4'-P-C4' energy: -95.147
flat angles P-C4'-P energy: -62.719
tors. eta vs tors. theta energy: -97.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1338.106004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.106004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.106004 (E_RNA)
where:
Base-Base interactions energy: -905.909
where: short stacking energy: -390.972
Base-Backbone interact. energy: -0.506
local terms energy: -431.690722
where:
bonds (distance) C4'-P energy: -80.334
bonds (distance) P-C4' energy: -93.539
flat angles C4'-P-C4' energy: -99.611
flat angles P-C4'-P energy: -60.432
tors. eta vs tors. theta energy: -97.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1239.685699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.685699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.685699 (E_RNA)
where:
Base-Base interactions energy: -838.420
where: short stacking energy: -355.553
Base-Backbone interact. energy: -3.286
local terms energy: -397.978902
where:
bonds (distance) C4'-P energy: -87.687
bonds (distance) P-C4' energy: -80.745
flat angles C4'-P-C4' energy: -89.419
flat angles P-C4'-P energy: -57.171
tors. eta vs tors. theta energy: -82.957
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: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -864.853946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.853946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.853946 (E_RNA)
where:
Base-Base interactions energy: -520.021
where: short stacking energy: -253.383
Base-Backbone interact. energy: 0.424
local terms energy: -345.256450
where:
bonds (distance) C4'-P energy: -69.045
bonds (distance) P-C4' energy: -102.236
flat angles C4'-P-C4' energy: -71.403
flat angles P-C4'-P energy: -64.478
tors. eta vs tors. theta energy: -38.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -604.449234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.449234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.449234 (E_RNA)
where:
Base-Base interactions energy: -328.594
where: short stacking energy: -188.521
Base-Backbone interact. energy: 3.304
local terms energy: -279.159767
where:
bonds (distance) C4'-P energy: -85.550
bonds (distance) P-C4' energy: -96.274
flat angles C4'-P-C4' energy: -69.237
flat angles P-C4'-P energy: -28.806
tors. eta vs tors. theta energy: 0.709
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: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1866.015482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.015482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.015482 (E_RNA)
where:
Base-Base interactions energy: -1306.608
where: short stacking energy: -523.835
Base-Backbone interact. energy: -4.558
local terms energy: -554.849708
where:
bonds (distance) C4'-P energy: -93.756
bonds (distance) P-C4' energy: -96.905
flat angles C4'-P-C4' energy: -123.228
flat angles P-C4'-P energy: -84.694
tors. eta vs tors. theta energy: -156.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1809.455281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.455281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.455281 (E_RNA)
where:
Base-Base interactions energy: -1255.499
where: short stacking energy: -528.057
Base-Backbone interact. energy: -0.007
local terms energy: -553.949300
where:
bonds (distance) C4'-P energy: -104.986
bonds (distance) P-C4' energy: -108.799
flat angles C4'-P-C4' energy: -115.360
flat angles P-C4'-P energy: -68.832
tors. eta vs tors. theta energy: -155.973
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: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1757.321679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.321679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.321679 (E_RNA)
where:
Base-Base interactions energy: -1253.289
where: short stacking energy: -482.077
Base-Backbone interact. energy: -2.435
local terms energy: -501.597405
where:
bonds (distance) C4'-P energy: -87.122
bonds (distance) P-C4' energy: -102.824
flat angles C4'-P-C4' energy: -101.580
flat angles P-C4'-P energy: -82.374
tors. eta vs tors. theta energy: -127.697
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: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1653.658178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.658178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.658178 (E_RNA)
where:
Base-Base interactions energy: -1181.207
where: short stacking energy: -487.967
Base-Backbone interact. energy: 1.458
local terms energy: -473.909215
where:
bonds (distance) C4'-P energy: -93.891
bonds (distance) P-C4' energy: -92.547
flat angles C4'-P-C4' energy: -102.347
flat angles P-C4'-P energy: -65.916
tors. eta vs tors. theta energy: -119.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1589.682499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.682499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.682499 (E_RNA)
where:
Base-Base interactions energy: -1117.544
where: short stacking energy: -444.388
Base-Backbone interact. energy: -0.353
local terms energy: -471.785781
where:
bonds (distance) C4'-P energy: -85.233
bonds (distance) P-C4' energy: -90.135
flat angles C4'-P-C4' energy: -104.033
flat angles P-C4'-P energy: -73.870
tors. eta vs tors. theta energy: -118.514
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: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1396.191931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.191931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.191931 (E_RNA)
where:
Base-Base interactions energy: -975.422
where: short stacking energy: -416.617
Base-Backbone interact. energy: -1.139
local terms energy: -419.631014
where:
bonds (distance) C4'-P energy: -61.261
bonds (distance) P-C4' energy: -102.781
flat angles C4'-P-C4' energy: -95.812
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -109.340
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: 375
Temperature: 1.200000
Total energy: -1371.024984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.024984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.024984 (E_RNA)
where:
Base-Base interactions energy: -941.917
where: short stacking energy: -396.248
Base-Backbone interact. energy: -2.313
local terms energy: -426.794328
where:
bonds (distance) C4'-P energy: -84.927
bonds (distance) P-C4' energy: -90.781
flat angles C4'-P-C4' energy: -108.438
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: -91.403
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: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1214.589534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.589534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.589534 (E_RNA)
where:
Base-Base interactions energy: -798.560
where: short stacking energy: -334.003
Base-Backbone interact. energy: 0.482
local terms energy: -416.511380
where:
bonds (distance) C4'-P energy: -84.849
bonds (distance) P-C4' energy: -95.868
flat angles C4'-P-C4' energy: -97.632
flat angles P-C4'-P energy: -61.420
tors. eta vs tors. theta energy: -76.742
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: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -858.368187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.368187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.368187 (E_RNA)
where:
Base-Base interactions energy: -508.729
where: short stacking energy: -243.012
Base-Backbone interact. energy: 0.711
local terms energy: -350.350643
where:
bonds (distance) C4'-P energy: -79.135
bonds (distance) P-C4' energy: -91.737
flat angles C4'-P-C4' energy: -82.205
flat angles P-C4'-P energy: -66.089
tors. eta vs tors. theta energy: -31.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -619.404382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.404382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.404382 (E_RNA)
where:
Base-Base interactions energy: -305.084
where: short stacking energy: -152.815
Base-Backbone interact. energy: 0.840
local terms energy: -315.160611
where:
bonds (distance) C4'-P energy: -94.038
bonds (distance) P-C4' energy: -96.360
flat angles C4'-P-C4' energy: -72.555
flat angles P-C4'-P energy: -45.418
tors. eta vs tors. theta energy: -6.790
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: 376
Temperature: 0.900000
Total energy: -1864.339308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.339308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.339308 (E_RNA)
where:
Base-Base interactions energy: -1317.815
where: short stacking energy: -537.892
Base-Backbone interact. energy: -5.662
local terms energy: -540.862448
where:
bonds (distance) C4'-P energy: -94.893
bonds (distance) P-C4' energy: -99.922
flat angles C4'-P-C4' energy: -111.277
flat angles P-C4'-P energy: -74.571
tors. eta vs tors. theta energy: -160.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1759.817676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.817676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.817676 (E_RNA)
where:
Base-Base interactions energy: -1239.654
where: short stacking energy: -506.617
Base-Backbone interact. energy: -3.362
local terms energy: -516.801696
where:
bonds (distance) C4'-P energy: -100.279
bonds (distance) P-C4' energy: -101.851
flat angles C4'-P-C4' energy: -105.526
flat angles P-C4'-P energy: -68.210
tors. eta vs tors. theta energy: -140.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1695.227359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.227359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.227359 (E_RNA)
where:
Base-Base interactions energy: -1197.453
where: short stacking energy: -489.033
Base-Backbone interact. energy: -1.083
local terms energy: -496.691886
where:
bonds (distance) C4'-P energy: -84.553
bonds (distance) P-C4' energy: -112.305
flat angles C4'-P-C4' energy: -107.167
flat angles P-C4'-P energy: -67.102
tors. eta vs tors. theta energy: -125.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1709.941893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.941893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.941893 (E_RNA)
where:
Base-Base interactions energy: -1192.886
where: short stacking energy: -480.363
Base-Backbone interact. energy: -4.741
local terms energy: -512.314568
where:
bonds (distance) C4'-P energy: -91.386
bonds (distance) P-C4' energy: -102.737
flat angles C4'-P-C4' energy: -115.549
flat angles P-C4'-P energy: -68.660
tors. eta vs tors. theta energy: -133.983
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: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1570.888797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.888797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.888797 (E_RNA)
where:
Base-Base interactions energy: -1116.408
where: short stacking energy: -441.387
Base-Backbone interact. energy: 0.520
local terms energy: -455.000878
where:
bonds (distance) C4'-P energy: -75.970
bonds (distance) P-C4' energy: -99.898
flat angles C4'-P-C4' energy: -96.669
flat angles P-C4'-P energy: -69.258
tors. eta vs tors. theta energy: -113.206
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: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1487.075165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.075165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.075165 (E_RNA)
where:
Base-Base interactions energy: -1036.241
where: short stacking energy: -439.388
Base-Backbone interact. energy: -1.839
local terms energy: -448.994850
where:
bonds (distance) C4'-P energy: -82.001
bonds (distance) P-C4' energy: -85.701
flat angles C4'-P-C4' energy: -92.140
flat angles P-C4'-P energy: -68.969
tors. eta vs tors. theta energy: -120.183
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: 376
Temperature: 1.200000
Total energy: -1297.798709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.798709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.798709 (E_RNA)
where:
Base-Base interactions energy: -886.283
where: short stacking energy: -363.096
Base-Backbone interact. energy: -3.284
local terms energy: -408.231918
where:
bonds (distance) C4'-P energy: -79.468
bonds (distance) P-C4' energy: -79.095
flat angles C4'-P-C4' energy: -96.329
flat angles P-C4'-P energy: -58.320
tors. eta vs tors. theta energy: -95.020
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: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1222.904559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.904559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.904559 (E_RNA)
where:
Base-Base interactions energy: -847.312
where: short stacking energy: -341.178
Base-Backbone interact. energy: -0.967
local terms energy: -374.625748
where:
bonds (distance) C4'-P energy: -69.272
bonds (distance) P-C4' energy: -89.828
flat angles C4'-P-C4' energy: -94.763
flat angles P-C4'-P energy: -43.447
tors. eta vs tors. theta energy: -77.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -830.237713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.237713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.237713 (E_RNA)
where:
Base-Base interactions energy: -499.919
where: short stacking energy: -239.189
Base-Backbone interact. energy: -2.581
local terms energy: -327.737869
where:
bonds (distance) C4'-P energy: -84.008
bonds (distance) P-C4' energy: -79.490
flat angles C4'-P-C4' energy: -94.849
flat angles P-C4'-P energy: -38.607
tors. eta vs tors. theta energy: -30.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -626.190369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.190369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.190369 (E_RNA)
where:
Base-Base interactions energy: -349.390
where: short stacking energy: -197.255
Base-Backbone interact. energy: 0.439
local terms energy: -277.239915
where:
bonds (distance) C4'-P energy: -72.614
bonds (distance) P-C4' energy: -90.556
flat angles C4'-P-C4' energy: -83.072
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: 1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1848.877782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.877782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.877782 (E_RNA)
where:
Base-Base interactions energy: -1268.249
where: short stacking energy: -529.564
Base-Backbone interact. energy: -3.412
local terms energy: -577.216257
where:
bonds (distance) C4'-P energy: -105.722
bonds (distance) P-C4' energy: -109.522
flat angles C4'-P-C4' energy: -117.589
flat angles P-C4'-P energy: -87.759
tors. eta vs tors. theta energy: -156.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1777.970650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.970650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.970650 (E_RNA)
where:
Base-Base interactions energy: -1249.752
where: short stacking energy: -522.575
Base-Backbone interact. energy: -4.439
local terms energy: -523.779709
where:
bonds (distance) C4'-P energy: -96.444
bonds (distance) P-C4' energy: -106.865
flat angles C4'-P-C4' energy: -104.788
flat angles P-C4'-P energy: -73.959
tors. eta vs tors. theta energy: -141.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1684.064103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.064103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.064103 (E_RNA)
where:
Base-Base interactions energy: -1199.349
where: short stacking energy: -484.236
Base-Backbone interact. energy: -2.551
local terms energy: -482.164039
where:
bonds (distance) C4'-P energy: -90.108
bonds (distance) P-C4' energy: -101.022
flat angles C4'-P-C4' energy: -108.577
flat angles P-C4'-P energy: -62.831
tors. eta vs tors. theta energy: -119.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1640.162392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.162392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.162392 (E_RNA)
where:
Base-Base interactions energy: -1150.769
where: short stacking energy: -434.105
Base-Backbone interact. energy: -2.025
local terms energy: -487.368460
where:
bonds (distance) C4'-P energy: -91.152
bonds (distance) P-C4' energy: -95.418
flat angles C4'-P-C4' energy: -97.891
flat angles P-C4'-P energy: -82.614
tors. eta vs tors. theta energy: -120.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1562.008521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.008521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.008521 (E_RNA)
where:
Base-Base interactions energy: -1107.836
where: short stacking energy: -442.283
Base-Backbone interact. energy: -3.085
local terms energy: -451.086964
where:
bonds (distance) C4'-P energy: -89.920
bonds (distance) P-C4' energy: -86.790
flat angles C4'-P-C4' energy: -96.970
flat angles P-C4'-P energy: -67.402
tors. eta vs tors. theta energy: -110.005
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: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1432.604260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.604260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.604260 (E_RNA)
where:
Base-Base interactions energy: -1001.413
where: short stacking energy: -419.502
Base-Backbone interact. energy: -2.905
local terms energy: -428.286369
where:
bonds (distance) C4'-P energy: -82.077
bonds (distance) P-C4' energy: -84.914
flat angles C4'-P-C4' energy: -90.637
flat angles P-C4'-P energy: -61.235
tors. eta vs tors. theta energy: -109.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1298.200113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.200113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.200113 (E_RNA)
where:
Base-Base interactions energy: -891.668
where: short stacking energy: -398.491
Base-Backbone interact. energy: -4.044
local terms energy: -402.487726
where:
bonds (distance) C4'-P energy: -72.424
bonds (distance) P-C4' energy: -75.940
flat angles C4'-P-C4' energy: -94.003
flat angles P-C4'-P energy: -67.087
tors. eta vs tors. theta energy: -93.033
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: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1250.240620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.240620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.240620 (E_RNA)
where:
Base-Base interactions energy: -862.741
where: short stacking energy: -362.580
Base-Backbone interact. energy: -2.370
local terms energy: -385.130085
where:
bonds (distance) C4'-P energy: -74.625
bonds (distance) P-C4' energy: -89.164
flat angles C4'-P-C4' energy: -91.456
flat angles P-C4'-P energy: -48.958
tors. eta vs tors. theta energy: -80.926
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: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -809.075656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.075656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.075656 (E_RNA)
where:
Base-Base interactions energy: -482.630
where: short stacking energy: -234.822
Base-Backbone interact. energy: -0.045
local terms energy: -326.400280
where:
bonds (distance) C4'-P energy: -79.018
bonds (distance) P-C4' energy: -78.424
flat angles C4'-P-C4' energy: -80.772
flat angles P-C4'-P energy: -48.429
tors. eta vs tors. theta energy: -39.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -595.461358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.461358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.461358 (E_RNA)
where:
Base-Base interactions energy: -325.282
where: short stacking energy: -179.499
Base-Backbone interact. energy: 1.851
local terms energy: -272.030726
where:
bonds (distance) C4'-P energy: -85.220
bonds (distance) P-C4' energy: -76.958
flat angles C4'-P-C4' energy: -62.881
flat angles P-C4'-P energy: -45.601
tors. eta vs tors. theta energy: -1.371
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: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1843.485664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.485664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.485664 (E_RNA)
where:
Base-Base interactions energy: -1290.355
where: short stacking energy: -544.389
Base-Backbone interact. energy: -2.071
local terms energy: -551.059939
where:
bonds (distance) C4'-P energy: -94.574
bonds (distance) P-C4' energy: -99.728
flat angles C4'-P-C4' energy: -118.423
flat angles P-C4'-P energy: -83.484
tors. eta vs tors. theta energy: -154.852
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: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1768.658554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.658554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.658554 (E_RNA)
where:
Base-Base interactions energy: -1228.183
where: short stacking energy: -504.606
Base-Backbone interact. energy: -2.117
local terms energy: -538.358819
where:
bonds (distance) C4'-P energy: -91.731
bonds (distance) P-C4' energy: -107.144
flat angles C4'-P-C4' energy: -110.424
flat angles P-C4'-P energy: -80.704
tors. eta vs tors. theta energy: -148.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1712.764885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.764885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.764885 (E_RNA)
where:
Base-Base interactions energy: -1220.585
where: short stacking energy: -477.098
Base-Backbone interact. energy: -2.832
local terms energy: -489.347481
where:
bonds (distance) C4'-P energy: -97.054
bonds (distance) P-C4' energy: -103.958
flat angles C4'-P-C4' energy: -107.901
flat angles P-C4'-P energy: -57.767
tors. eta vs tors. theta energy: -122.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1609.385261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.385261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.385261 (E_RNA)
where:
Base-Base interactions energy: -1172.492
where: short stacking energy: -445.001
Base-Backbone interact. energy: -1.163
local terms energy: -435.731164
where:
bonds (distance) C4'-P energy: -91.347
bonds (distance) P-C4' energy: -86.778
flat angles C4'-P-C4' energy: -85.902
flat angles P-C4'-P energy: -59.924
tors. eta vs tors. theta energy: -111.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1559.519746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.519746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.519746 (E_RNA)
where:
Base-Base interactions energy: -1116.031
where: short stacking energy: -456.288
Base-Backbone interact. energy: -2.324
local terms energy: -441.165135
where:
bonds (distance) C4'-P energy: -84.483
bonds (distance) P-C4' energy: -89.207
flat angles C4'-P-C4' energy: -101.235
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -113.386
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: 378
Temperature: 1.150000
Total energy: -1459.858354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.858354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.858354 (E_RNA)
where:
Base-Base interactions energy: -1019.532
where: short stacking energy: -422.170
Base-Backbone interact. energy: -0.813
local terms energy: -439.513170
where:
bonds (distance) C4'-P energy: -84.707
bonds (distance) P-C4' energy: -89.102
flat angles C4'-P-C4' energy: -100.732
flat angles P-C4'-P energy: -52.296
tors. eta vs tors. theta energy: -112.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1321.658602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.658602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.658602 (E_RNA)
where:
Base-Base interactions energy: -922.066
where: short stacking energy: -380.680
Base-Backbone interact. energy: 0.925
local terms energy: -400.517876
where:
bonds (distance) C4'-P energy: -76.784
bonds (distance) P-C4' energy: -97.925
flat angles C4'-P-C4' energy: -91.904
flat angles P-C4'-P energy: -43.280
tors. eta vs tors. theta energy: -90.626
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: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1271.515992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.515992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.515992 (E_RNA)
where:
Base-Base interactions energy: -891.647
where: short stacking energy: -389.719
Base-Backbone interact. energy: -0.391
local terms energy: -379.478643
where:
bonds (distance) C4'-P energy: -84.254
bonds (distance) P-C4' energy: -76.965
flat angles C4'-P-C4' energy: -90.221
flat angles P-C4'-P energy: -49.485
tors. eta vs tors. theta energy: -78.553
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: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -810.664802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.664802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.664802 (E_RNA)
where:
Base-Base interactions energy: -479.157
where: short stacking energy: -249.080
Base-Backbone interact. energy: 0.600
local terms energy: -332.107267
where:
bonds (distance) C4'-P energy: -82.329
bonds (distance) P-C4' energy: -102.282
flat angles C4'-P-C4' energy: -77.721
flat angles P-C4'-P energy: -42.562
tors. eta vs tors. theta energy: -27.212
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: 10, replica: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -660.214736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.214736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.214736 (E_RNA)
where:
Base-Base interactions energy: -341.665
where: short stacking energy: -183.554
Base-Backbone interact. energy: -2.049
local terms energy: -316.500941
where:
bonds (distance) C4'-P energy: -83.154
bonds (distance) P-C4' energy: -84.769
flat angles C4'-P-C4' energy: -95.285
flat angles P-C4'-P energy: -48.653
tors. eta vs tors. theta energy: -4.641
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: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1846.860343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.860343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.860343 (E_RNA)
where:
Base-Base interactions energy: -1320.090
where: short stacking energy: -546.402
Base-Backbone interact. energy: -2.099
local terms energy: -524.671661
where:
bonds (distance) C4'-P energy: -86.361
bonds (distance) P-C4' energy: -97.954
flat angles C4'-P-C4' energy: -113.053
flat angles P-C4'-P energy: -70.059
tors. eta vs tors. theta energy: -157.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1778.380725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.380725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.380725 (E_RNA)
where:
Base-Base interactions energy: -1232.820
where: short stacking energy: -498.816
Base-Backbone interact. energy: -2.270
local terms energy: -543.290034
where:
bonds (distance) C4'-P energy: -101.922
bonds (distance) P-C4' energy: -107.438
flat angles C4'-P-C4' energy: -121.495
flat angles P-C4'-P energy: -69.148
tors. eta vs tors. theta energy: -143.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1710.529858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.529858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.529858 (E_RNA)
where:
Base-Base interactions energy: -1233.129
where: short stacking energy: -478.657
Base-Backbone interact. energy: -0.743
local terms energy: -476.657716
where:
bonds (distance) C4'-P energy: -86.342
bonds (distance) P-C4' energy: -92.716
flat angles C4'-P-C4' energy: -104.856
flat angles P-C4'-P energy: -69.577
tors. eta vs tors. theta energy: -123.166
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: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1650.288284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.288284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.288284 (E_RNA)
where:
Base-Base interactions energy: -1172.379
where: short stacking energy: -450.912
Base-Backbone interact. energy: -2.849
local terms energy: -475.059616
where:
bonds (distance) C4'-P energy: -85.158
bonds (distance) P-C4' energy: -94.622
flat angles C4'-P-C4' energy: -102.264
flat angles P-C4'-P energy: -75.357
tors. eta vs tors. theta energy: -117.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1537.307493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.307493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.307493 (E_RNA)
where:
Base-Base interactions energy: -1087.866
where: short stacking energy: -443.295
Base-Backbone interact. energy: -1.355
local terms energy: -448.086605
where:
bonds (distance) C4'-P energy: -93.653
bonds (distance) P-C4' energy: -94.205
flat angles C4'-P-C4' energy: -104.633
flat angles P-C4'-P energy: -58.989
tors. eta vs tors. theta energy: -96.605
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: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1492.722757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.722757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.722757 (E_RNA)
where:
Base-Base interactions energy: -1044.460
where: short stacking energy: -438.977
Base-Backbone interact. energy: -0.720
local terms energy: -447.542935
where:
bonds (distance) C4'-P energy: -83.899
bonds (distance) P-C4' energy: -100.604
flat angles C4'-P-C4' energy: -102.143
flat angles P-C4'-P energy: -46.229
tors. eta vs tors. theta energy: -114.668
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: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1332.256820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.256820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.256820 (E_RNA)
where:
Base-Base interactions energy: -927.227
where: short stacking energy: -389.677
Base-Backbone interact. energy: -2.838
local terms energy: -402.191870
where:
bonds (distance) C4'-P energy: -89.117
bonds (distance) P-C4' energy: -81.982
flat angles C4'-P-C4' energy: -92.615
flat angles P-C4'-P energy: -49.944
tors. eta vs tors. theta energy: -88.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1202.758061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.758061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.758061 (E_RNA)
where:
Base-Base interactions energy: -839.941
where: short stacking energy: -324.976
Base-Backbone interact. energy: -2.938
local terms energy: -359.878813
where:
bonds (distance) C4'-P energy: -78.274
bonds (distance) P-C4' energy: -79.417
flat angles C4'-P-C4' energy: -76.242
flat angles P-C4'-P energy: -59.170
tors. eta vs tors. theta energy: -66.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -832.390757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.390757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.390757 (E_RNA)
where:
Base-Base interactions energy: -520.022
where: short stacking energy: -270.296
Base-Backbone interact. energy: 0.703
local terms energy: -313.071947
where:
bonds (distance) C4'-P energy: -68.028
bonds (distance) P-C4' energy: -91.043
flat angles C4'-P-C4' energy: -85.637
flat angles P-C4'-P energy: -28.934
tors. eta vs tors. theta energy: -39.430
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: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -626.725709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.725709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.725709 (E_RNA)
where:
Base-Base interactions energy: -337.786
where: short stacking energy: -186.734
Base-Backbone interact. energy: 5.413
local terms energy: -294.353638
where:
bonds (distance) C4'-P energy: -83.777
bonds (distance) P-C4' energy: -86.779
flat angles C4'-P-C4' energy: -56.247
flat angles P-C4'-P energy: -57.813
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1840.833045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.833045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.833045 (E_RNA)
where:
Base-Base interactions energy: -1287.312
where: short stacking energy: -552.560
Base-Backbone interact. energy: -5.070
local terms energy: -548.450951
where:
bonds (distance) C4'-P energy: -95.433
bonds (distance) P-C4' energy: -103.988
flat angles C4'-P-C4' energy: -118.642
flat angles P-C4'-P energy: -75.194
tors. eta vs tors. theta energy: -155.194
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: 380
Temperature: 0.950000
Total energy: -1778.402159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.402159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.402159 (E_RNA)
where:
Base-Base interactions energy: -1232.862
where: short stacking energy: -514.873
Base-Backbone interact. energy: -2.273
local terms energy: -543.266818
where:
bonds (distance) C4'-P energy: -104.215
bonds (distance) P-C4' energy: -107.418
flat angles C4'-P-C4' energy: -108.111
flat angles P-C4'-P energy: -77.168
tors. eta vs tors. theta energy: -146.354
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: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1714.358132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.358132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.358132 (E_RNA)
where:
Base-Base interactions energy: -1222.930
where: short stacking energy: -464.570
Base-Backbone interact. energy: 0.379
local terms energy: -491.807350
where:
bonds (distance) C4'-P energy: -93.109
bonds (distance) P-C4' energy: -82.260
flat angles C4'-P-C4' energy: -109.480
flat angles P-C4'-P energy: -82.922
tors. eta vs tors. theta energy: -124.035
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: 380
Temperature: 1.050000
Total energy: -1664.008486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.008486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.008486 (E_RNA)
where:
Base-Base interactions energy: -1162.897
where: short stacking energy: -460.176
Base-Backbone interact. energy: 0.197
local terms energy: -501.308425
where:
bonds (distance) C4'-P energy: -98.797
bonds (distance) P-C4' energy: -104.491
flat angles C4'-P-C4' energy: -103.121
flat angles P-C4'-P energy: -73.448
tors. eta vs tors. theta energy: -121.451
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: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1539.494954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.494954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.494954 (E_RNA)
where:
Base-Base interactions energy: -1082.085
where: short stacking energy: -443.405
Base-Backbone interact. energy: 3.997
local terms energy: -461.406302
where:
bonds (distance) C4'-P energy: -88.033
bonds (distance) P-C4' energy: -85.146
flat angles C4'-P-C4' energy: -108.093
flat angles P-C4'-P energy: -67.980
tors. eta vs tors. theta energy: -112.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1509.080188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.080188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.080188 (E_RNA)
where:
Base-Base interactions energy: -1038.211
where: short stacking energy: -423.269
Base-Backbone interact. energy: -0.673
local terms energy: -470.195519
where:
bonds (distance) C4'-P energy: -80.704
bonds (distance) P-C4' energy: -95.069
flat angles C4'-P-C4' energy: -108.167
flat angles P-C4'-P energy: -72.553
tors. eta vs tors. theta energy: -113.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1310.446178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.446178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.446178 (E_RNA)
where:
Base-Base interactions energy: -928.489
where: short stacking energy: -391.643
Base-Backbone interact. energy: -4.116
local terms energy: -377.841428
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -90.211
flat angles C4'-P-C4' energy: -85.435
flat angles P-C4'-P energy: -61.049
tors. eta vs tors. theta energy: -85.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1223.723435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.723435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.723435 (E_RNA)
where:
Base-Base interactions energy: -841.903
where: short stacking energy: -331.000
Base-Backbone interact. energy: -2.092
local terms energy: -379.728324
where:
bonds (distance) C4'-P energy: -73.343
bonds (distance) P-C4' energy: -87.756
flat angles C4'-P-C4' energy: -94.145
flat angles P-C4'-P energy: -62.790
tors. eta vs tors. theta energy: -61.694
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: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -927.193826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.193826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.193826 (E_RNA)
where:
Base-Base interactions energy: -560.716
where: short stacking energy: -291.070
Base-Backbone interact. energy: 2.154
local terms energy: -368.632273
where:
bonds (distance) C4'-P energy: -79.638
bonds (distance) P-C4' energy: -92.377
flat angles C4'-P-C4' energy: -78.555
flat angles P-C4'-P energy: -66.608
tors. eta vs tors. theta energy: -51.454
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: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -602.383730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.383730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.383730 (E_RNA)
where:
Base-Base interactions energy: -297.003
where: short stacking energy: -169.622
Base-Backbone interact. energy: -1.932
local terms energy: -303.448966
where:
bonds (distance) C4'-P energy: -81.915
bonds (distance) P-C4' energy: -79.353
flat angles C4'-P-C4' energy: -85.855
flat angles P-C4'-P energy: -50.860
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1856.120570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.120570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.120570 (E_RNA)
where:
Base-Base interactions energy: -1312.881
where: short stacking energy: -551.100
Base-Backbone interact. energy: -4.617
local terms energy: -538.622687
where:
bonds (distance) C4'-P energy: -111.655
bonds (distance) P-C4' energy: -99.382
flat angles C4'-P-C4' energy: -106.131
flat angles P-C4'-P energy: -69.292
tors. eta vs tors. theta energy: -152.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1791.231275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.231275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.231275 (E_RNA)
where:
Base-Base interactions energy: -1264.170
where: short stacking energy: -541.438
Base-Backbone interact. energy: 2.905
local terms energy: -529.967014
where:
bonds (distance) C4'-P energy: -93.466
bonds (distance) P-C4' energy: -97.248
flat angles C4'-P-C4' energy: -99.769
flat angles P-C4'-P energy: -82.265
tors. eta vs tors. theta energy: -157.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1741.995986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.995986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.995986 (E_RNA)
where:
Base-Base interactions energy: -1214.490
where: short stacking energy: -477.012
Base-Backbone interact. energy: 3.276
local terms energy: -530.782216
where:
bonds (distance) C4'-P energy: -103.178
bonds (distance) P-C4' energy: -101.554
flat angles C4'-P-C4' energy: -118.063
flat angles P-C4'-P energy: -79.796
tors. eta vs tors. theta energy: -128.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1588.634424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.634424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.634424 (E_RNA)
where:
Base-Base interactions energy: -1114.277
where: short stacking energy: -458.785
Base-Backbone interact. energy: -1.242
local terms energy: -473.115698
where:
bonds (distance) C4'-P energy: -99.351
bonds (distance) P-C4' energy: -94.931
flat angles C4'-P-C4' energy: -104.223
flat angles P-C4'-P energy: -63.821
tors. eta vs tors. theta energy: -110.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1610.065084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.065084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.065084 (E_RNA)
where:
Base-Base interactions energy: -1116.018
where: short stacking energy: -450.877
Base-Backbone interact. energy: -0.896
local terms energy: -493.150661
where:
bonds (distance) C4'-P energy: -88.673
bonds (distance) P-C4' energy: -107.416
flat angles C4'-P-C4' energy: -105.061
flat angles P-C4'-P energy: -71.725
tors. eta vs tors. theta energy: -120.275
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: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1554.811801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.811801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.811801 (E_RNA)
where:
Base-Base interactions energy: -1099.048
where: short stacking energy: -452.664
Base-Backbone interact. energy: -3.141
local terms energy: -452.622727
where:
bonds (distance) C4'-P energy: -72.716
bonds (distance) P-C4' energy: -81.117
flat angles C4'-P-C4' energy: -104.831
flat angles P-C4'-P energy: -77.534
tors. eta vs tors. theta energy: -116.424
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: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1291.093285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.093285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.093285 (E_RNA)
where:
Base-Base interactions energy: -902.487
where: short stacking energy: -381.019
Base-Backbone interact. energy: 0.682
local terms energy: -389.288210
where:
bonds (distance) C4'-P energy: -75.821
bonds (distance) P-C4' energy: -72.550
flat angles C4'-P-C4' energy: -78.774
flat angles P-C4'-P energy: -76.578
tors. eta vs tors. theta energy: -85.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1231.826388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.826388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.826388 (E_RNA)
where:
Base-Base interactions energy: -850.484
where: short stacking energy: -374.222
Base-Backbone interact. energy: -1.256
local terms energy: -380.086873
where:
bonds (distance) C4'-P energy: -78.027
bonds (distance) P-C4' energy: -78.934
flat angles C4'-P-C4' energy: -84.044
flat angles P-C4'-P energy: -64.460
tors. eta vs tors. theta energy: -74.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -806.092352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.092352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.092352 (E_RNA)
where:
Base-Base interactions energy: -471.656
where: short stacking energy: -210.163
Base-Backbone interact. energy: 1.645
local terms energy: -336.081468
where:
bonds (distance) C4'-P energy: -85.930
bonds (distance) P-C4' energy: -87.213
flat angles C4'-P-C4' energy: -80.948
flat angles P-C4'-P energy: -56.359
tors. eta vs tors. theta energy: -25.632
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: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -566.103514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.103514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.103514 (E_RNA)
where:
Base-Base interactions energy: -284.254
where: short stacking energy: -155.923
Base-Backbone interact. energy: -2.386
local terms energy: -279.462684
where:
bonds (distance) C4'-P energy: -76.732
bonds (distance) P-C4' energy: -81.851
flat angles C4'-P-C4' energy: -81.467
flat angles P-C4'-P energy: -41.671
tors. eta vs tors. theta energy: 2.259
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: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1839.502261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.502261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.502261 (E_RNA)
where:
Base-Base interactions energy: -1314.277
where: short stacking energy: -542.594
Base-Backbone interact. energy: -5.855
local terms energy: -519.369774
where:
bonds (distance) C4'-P energy: -87.409
bonds (distance) P-C4' energy: -94.936
flat angles C4'-P-C4' energy: -119.776
flat angles P-C4'-P energy: -60.516
tors. eta vs tors. theta energy: -156.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1798.803071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.803071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.803071 (E_RNA)
where:
Base-Base interactions energy: -1257.998
where: short stacking energy: -515.660
Base-Backbone interact. energy: -1.234
local terms energy: -539.571391
where:
bonds (distance) C4'-P energy: -100.730
bonds (distance) P-C4' energy: -107.344
flat angles C4'-P-C4' energy: -106.642
flat angles P-C4'-P energy: -83.243
tors. eta vs tors. theta energy: -141.612
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: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1720.801508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.801508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.801508 (E_RNA)
where:
Base-Base interactions energy: -1214.416
where: short stacking energy: -470.306
Base-Backbone interact. energy: -2.613
local terms energy: -503.772595
where:
bonds (distance) C4'-P energy: -75.358
bonds (distance) P-C4' energy: -105.113
flat angles C4'-P-C4' energy: -108.320
flat angles P-C4'-P energy: -79.180
tors. eta vs tors. theta energy: -135.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1592.934297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.934297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.934297 (E_RNA)
where:
Base-Base interactions energy: -1108.195
where: short stacking energy: -463.875
Base-Backbone interact. energy: -1.473
local terms energy: -483.266491
where:
bonds (distance) C4'-P energy: -101.382
bonds (distance) P-C4' energy: -85.942
flat angles C4'-P-C4' energy: -110.434
flat angles P-C4'-P energy: -63.891
tors. eta vs tors. theta energy: -121.617
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: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1580.599070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.599070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.599070 (E_RNA)
where:
Base-Base interactions energy: -1106.987
where: short stacking energy: -450.895
Base-Backbone interact. energy: 1.012
local terms energy: -474.624366
where:
bonds (distance) C4'-P energy: -85.937
bonds (distance) P-C4' energy: -96.815
flat angles C4'-P-C4' energy: -108.453
flat angles P-C4'-P energy: -61.166
tors. eta vs tors. theta energy: -122.254
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: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1515.735010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.735010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.735010 (E_RNA)
where:
Base-Base interactions energy: -1064.701
where: short stacking energy: -422.599
Base-Backbone interact. energy: -1.508
local terms energy: -449.525615
where:
bonds (distance) C4'-P energy: -82.790
bonds (distance) P-C4' energy: -79.193
flat angles C4'-P-C4' energy: -104.329
flat angles P-C4'-P energy: -66.100
tors. eta vs tors. theta energy: -117.114
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: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1299.486748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.486748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.486748 (E_RNA)
where:
Base-Base interactions energy: -885.960
where: short stacking energy: -376.344
Base-Backbone interact. energy: -0.860
local terms energy: -412.666213
where:
bonds (distance) C4'-P energy: -75.600
bonds (distance) P-C4' energy: -97.097
flat angles C4'-P-C4' energy: -103.933
flat angles P-C4'-P energy: -54.156
tors. eta vs tors. theta energy: -81.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1187.887000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.887000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.887000 (E_RNA)
where:
Base-Base interactions energy: -797.937
where: short stacking energy: -340.479
Base-Backbone interact. energy: -3.025
local terms energy: -386.924776
where:
bonds (distance) C4'-P energy: -79.838
bonds (distance) P-C4' energy: -96.377
flat angles C4'-P-C4' energy: -87.755
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -71.665
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: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -797.036576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.036576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.036576 (E_RNA)
where:
Base-Base interactions energy: -469.189
where: short stacking energy: -220.633
Base-Backbone interact. energy: 0.857
local terms energy: -328.704324
where:
bonds (distance) C4'-P energy: -75.224
bonds (distance) P-C4' energy: -89.761
flat angles C4'-P-C4' energy: -76.096
flat angles P-C4'-P energy: -70.361
tors. eta vs tors. theta energy: -17.263
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: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -645.481833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.481833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.481833 (E_RNA)
where:
Base-Base interactions energy: -347.400
where: short stacking energy: -183.639
Base-Backbone interact. energy: -4.227
local terms energy: -293.855106
where:
bonds (distance) C4'-P energy: -91.635
bonds (distance) P-C4' energy: -91.666
flat angles C4'-P-C4' energy: -63.888
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1865.540984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.540984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.540984 (E_RNA)
where:
Base-Base interactions energy: -1303.095
where: short stacking energy: -550.254
Base-Backbone interact. energy: -3.340
local terms energy: -559.106131
where:
bonds (distance) C4'-P energy: -107.414
bonds (distance) P-C4' energy: -101.511
flat angles C4'-P-C4' energy: -119.348
flat angles P-C4'-P energy: -72.531
tors. eta vs tors. theta energy: -158.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1771.109429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.109429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.109429 (E_RNA)
where:
Base-Base interactions energy: -1216.473
where: short stacking energy: -502.073
Base-Backbone interact. energy: -2.141
local terms energy: -552.495019
where:
bonds (distance) C4'-P energy: -100.025
bonds (distance) P-C4' energy: -107.843
flat angles C4'-P-C4' energy: -125.066
flat angles P-C4'-P energy: -72.955
tors. eta vs tors. theta energy: -146.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1710.346936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.346936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.346936 (E_RNA)
where:
Base-Base interactions energy: -1213.012
where: short stacking energy: -483.544
Base-Backbone interact. energy: -2.764
local terms energy: -494.571346
where:
bonds (distance) C4'-P energy: -93.524
bonds (distance) P-C4' energy: -86.646
flat angles C4'-P-C4' energy: -109.878
flat angles P-C4'-P energy: -74.996
tors. eta vs tors. theta energy: -129.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1605.121817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.121817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.121817 (E_RNA)
where:
Base-Base interactions energy: -1136.087
where: short stacking energy: -479.297
Base-Backbone interact. energy: -0.130
local terms energy: -468.904487
where:
bonds (distance) C4'-P energy: -83.669
bonds (distance) P-C4' energy: -94.572
flat angles C4'-P-C4' energy: -105.683
flat angles P-C4'-P energy: -68.981
tors. eta vs tors. theta energy: -116.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1564.030436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.030436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.030436 (E_RNA)
where:
Base-Base interactions energy: -1097.152
where: short stacking energy: -435.848
Base-Backbone interact. energy: -2.511
local terms energy: -464.367331
where:
bonds (distance) C4'-P energy: -96.230
bonds (distance) P-C4' energy: -100.536
flat angles C4'-P-C4' energy: -102.303
flat angles P-C4'-P energy: -63.213
tors. eta vs tors. theta energy: -102.086
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: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1504.999879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.999879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.999879 (E_RNA)
where:
Base-Base interactions energy: -1038.743
where: short stacking energy: -410.562
Base-Backbone interact. energy: -1.564
local terms energy: -464.693383
where:
bonds (distance) C4'-P energy: -89.283
bonds (distance) P-C4' energy: -85.839
flat angles C4'-P-C4' energy: -103.623
flat angles P-C4'-P energy: -72.516
tors. eta vs tors. theta energy: -113.432
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: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1333.783570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.783570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.783570 (E_RNA)
where:
Base-Base interactions energy: -879.966
where: short stacking energy: -398.685
Base-Backbone interact. energy: -2.985
local terms energy: -450.832715
where:
bonds (distance) C4'-P energy: -81.716
bonds (distance) P-C4' energy: -95.436
flat angles C4'-P-C4' energy: -102.010
flat angles P-C4'-P energy: -69.090
tors. eta vs tors. theta energy: -102.581
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: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1209.906221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.906221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.906221 (E_RNA)
where:
Base-Base interactions energy: -795.246
where: short stacking energy: -354.317
Base-Backbone interact. energy: 1.027
local terms energy: -415.686954
where:
bonds (distance) C4'-P energy: -93.766
bonds (distance) P-C4' energy: -93.353
flat angles C4'-P-C4' energy: -91.056
flat angles P-C4'-P energy: -56.866
tors. eta vs tors. theta energy: -80.646
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: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -806.463342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.463342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.463342 (E_RNA)
where:
Base-Base interactions energy: -470.216
where: short stacking energy: -223.205
Base-Backbone interact. energy: -2.241
local terms energy: -334.006150
where:
bonds (distance) C4'-P energy: -86.874
bonds (distance) P-C4' energy: -93.354
flat angles C4'-P-C4' energy: -72.557
flat angles P-C4'-P energy: -52.966
tors. eta vs tors. theta energy: -28.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -554.195699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.195699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.195699 (E_RNA)
where:
Base-Base interactions energy: -285.439
where: short stacking energy: -160.322
Base-Backbone interact. energy: -1.048
local terms energy: -267.708419
where:
bonds (distance) C4'-P energy: -71.062
bonds (distance) P-C4' energy: -91.066
flat angles C4'-P-C4' energy: -67.406
flat angles P-C4'-P energy: -48.828
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: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1860.393052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.393052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.393052 (E_RNA)
where:
Base-Base interactions energy: -1278.966
where: short stacking energy: -555.512
Base-Backbone interact. energy: -1.444
local terms energy: -579.983461
where:
bonds (distance) C4'-P energy: -108.461
bonds (distance) P-C4' energy: -106.893
flat angles C4'-P-C4' energy: -120.565
flat angles P-C4'-P energy: -90.559
tors. eta vs tors. theta energy: -153.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1779.655686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.655686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.655686 (E_RNA)
where:
Base-Base interactions energy: -1246.382
where: short stacking energy: -523.926
Base-Backbone interact. energy: -1.969
local terms energy: -531.304705
where:
bonds (distance) C4'-P energy: -90.506
bonds (distance) P-C4' energy: -100.195
flat angles C4'-P-C4' energy: -120.177
flat angles P-C4'-P energy: -78.057
tors. eta vs tors. theta energy: -142.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1738.140496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.140496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.140496 (E_RNA)
where:
Base-Base interactions energy: -1244.987
where: short stacking energy: -494.368
Base-Backbone interact. energy: -4.118
local terms energy: -489.036094
where:
bonds (distance) C4'-P energy: -94.610
bonds (distance) P-C4' energy: -101.948
flat angles C4'-P-C4' energy: -86.656
flat angles P-C4'-P energy: -74.205
tors. eta vs tors. theta energy: -131.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1621.204006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.204006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.204006 (E_RNA)
where:
Base-Base interactions energy: -1138.915
where: short stacking energy: -465.801
Base-Backbone interact. energy: -4.897
local terms energy: -477.391738
where:
bonds (distance) C4'-P energy: -95.526
bonds (distance) P-C4' energy: -100.323
flat angles C4'-P-C4' energy: -103.374
flat angles P-C4'-P energy: -69.134
tors. eta vs tors. theta energy: -109.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1552.325717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.325717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.325717 (E_RNA)
where:
Base-Base interactions energy: -1087.574
where: short stacking energy: -441.954
Base-Backbone interact. energy: -1.918
local terms energy: -462.833936
where:
bonds (distance) C4'-P energy: -94.827
bonds (distance) P-C4' energy: -91.830
flat angles C4'-P-C4' energy: -97.568
flat angles P-C4'-P energy: -67.166
tors. eta vs tors. theta energy: -111.442
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: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1499.829258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.829258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.829258 (E_RNA)
where:
Base-Base interactions energy: -1036.483
where: short stacking energy: -427.337
Base-Backbone interact. energy: -1.994
local terms energy: -461.353118
where:
bonds (distance) C4'-P energy: -96.631
bonds (distance) P-C4' energy: -88.138
flat angles C4'-P-C4' energy: -103.605
flat angles P-C4'-P energy: -52.453
tors. eta vs tors. theta energy: -120.527
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: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1323.394854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.394854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.394854 (E_RNA)
where:
Base-Base interactions energy: -888.118
where: short stacking energy: -391.122
Base-Backbone interact. energy: 1.575
local terms energy: -436.851912
where:
bonds (distance) C4'-P energy: -86.429
bonds (distance) P-C4' energy: -90.706
flat angles C4'-P-C4' energy: -99.683
flat angles P-C4'-P energy: -66.171
tors. eta vs tors. theta energy: -93.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1199.713915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.713915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.713915 (E_RNA)
where:
Base-Base interactions energy: -830.780
where: short stacking energy: -362.575
Base-Backbone interact. energy: -3.302
local terms energy: -365.631507
where:
bonds (distance) C4'-P energy: -82.137
bonds (distance) P-C4' energy: -75.790
flat angles C4'-P-C4' energy: -75.112
flat angles P-C4'-P energy: -45.462
tors. eta vs tors. theta energy: -87.130
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: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -823.236309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.236309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.236309 (E_RNA)
where:
Base-Base interactions energy: -518.737
where: short stacking energy: -241.931
Base-Backbone interact. energy: -1.007
local terms energy: -303.492823
where:
bonds (distance) C4'-P energy: -60.492
bonds (distance) P-C4' energy: -96.841
flat angles C4'-P-C4' energy: -60.835
flat angles P-C4'-P energy: -44.083
tors. eta vs tors. theta energy: -41.242
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: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -556.494815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.494815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.494815 (E_RNA)
where:
Base-Base interactions energy: -261.535
where: short stacking energy: -164.283
Base-Backbone interact. energy: -3.946
local terms energy: -291.013574
where:
bonds (distance) C4'-P energy: -82.633
bonds (distance) P-C4' energy: -93.620
flat angles C4'-P-C4' energy: -77.732
flat angles P-C4'-P energy: -37.377
tors. eta vs tors. theta energy: 0.348
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: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1845.149232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.149232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.149232 (E_RNA)
where:
Base-Base interactions energy: -1291.838
where: short stacking energy: -523.427
Base-Backbone interact. energy: -4.599
local terms energy: -548.712936
where:
bonds (distance) C4'-P energy: -105.616
bonds (distance) P-C4' energy: -96.607
flat angles C4'-P-C4' energy: -108.343
flat angles P-C4'-P energy: -81.589
tors. eta vs tors. theta energy: -156.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1770.022368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.022368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.022368 (E_RNA)
where:
Base-Base interactions energy: -1235.082
where: short stacking energy: -527.888
Base-Backbone interact. energy: -4.271
local terms energy: -530.669197
where:
bonds (distance) C4'-P energy: -86.768
bonds (distance) P-C4' energy: -100.464
flat angles C4'-P-C4' energy: -116.633
flat angles P-C4'-P energy: -71.278
tors. eta vs tors. theta energy: -155.526
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: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1731.747505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.747505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.747505 (E_RNA)
where:
Base-Base interactions energy: -1217.187
where: short stacking energy: -476.976
Base-Backbone interact. energy: 0.681
local terms energy: -515.242075
where:
bonds (distance) C4'-P energy: -98.159
bonds (distance) P-C4' energy: -89.487
flat angles C4'-P-C4' energy: -109.953
flat angles P-C4'-P energy: -80.860
tors. eta vs tors. theta energy: -136.784
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: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1571.431153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.431153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.431153 (E_RNA)
where:
Base-Base interactions energy: -1091.284
where: short stacking energy: -455.677
Base-Backbone interact. energy: -0.615
local terms energy: -479.531438
where:
bonds (distance) C4'-P energy: -95.980
bonds (distance) P-C4' energy: -93.884
flat angles C4'-P-C4' energy: -109.313
flat angles P-C4'-P energy: -62.124
tors. eta vs tors. theta energy: -118.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1604.628187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.628187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.628187 (E_RNA)
where:
Base-Base interactions energy: -1128.370
where: short stacking energy: -460.372
Base-Backbone interact. energy: 0.219
local terms energy: -476.477479
where:
bonds (distance) C4'-P energy: -87.636
bonds (distance) P-C4' energy: -98.277
flat angles C4'-P-C4' energy: -103.772
flat angles P-C4'-P energy: -77.759
tors. eta vs tors. theta energy: -109.034
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: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1490.999957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.999957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.999957 (E_RNA)
where:
Base-Base interactions energy: -995.383
where: short stacking energy: -426.321
Base-Backbone interact. energy: -4.737
local terms energy: -490.880235
where:
bonds (distance) C4'-P energy: -100.730
bonds (distance) P-C4' energy: -93.460
flat angles C4'-P-C4' energy: -111.968
flat angles P-C4'-P energy: -76.322
tors. eta vs tors. theta energy: -108.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1312.982644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.982644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.982644 (E_RNA)
where:
Base-Base interactions energy: -918.376
where: short stacking energy: -391.312
Base-Backbone interact. energy: 3.385
local terms energy: -397.991694
where:
bonds (distance) C4'-P energy: -97.885
bonds (distance) P-C4' energy: -87.501
flat angles C4'-P-C4' energy: -89.758
flat angles P-C4'-P energy: -40.562
tors. eta vs tors. theta energy: -82.286
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: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1229.367688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.367688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.367688 (E_RNA)
where:
Base-Base interactions energy: -833.377
where: short stacking energy: -372.415
Base-Backbone interact. energy: 0.652
local terms energy: -396.643063
where:
bonds (distance) C4'-P energy: -72.596
bonds (distance) P-C4' energy: -106.454
flat angles C4'-P-C4' energy: -77.049
flat angles P-C4'-P energy: -50.309
tors. eta vs tors. theta energy: -90.235
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: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -875.917472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.917472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.917472 (E_RNA)
where:
Base-Base interactions energy: -572.404
where: short stacking energy: -250.358
Base-Backbone interact. energy: 5.723
local terms energy: -309.235658
where:
bonds (distance) C4'-P energy: -85.361
bonds (distance) P-C4' energy: -83.076
flat angles C4'-P-C4' energy: -64.081
flat angles P-C4'-P energy: -46.588
tors. eta vs tors. theta energy: -30.130
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: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -569.830323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.830323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.830323 (E_RNA)
where:
Base-Base interactions energy: -288.854
where: short stacking energy: -150.923
Base-Backbone interact. energy: 1.899
local terms energy: -282.875525
where:
bonds (distance) C4'-P energy: -74.978
bonds (distance) P-C4' energy: -87.494
flat angles C4'-P-C4' energy: -68.028
flat angles P-C4'-P energy: -37.860
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1850.726117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.726117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.726117 (E_RNA)
where:
Base-Base interactions energy: -1284.978
where: short stacking energy: -516.392
Base-Backbone interact. energy: -1.939
local terms energy: -563.808513
where:
bonds (distance) C4'-P energy: -104.905
bonds (distance) P-C4' energy: -105.661
flat angles C4'-P-C4' energy: -118.189
flat angles P-C4'-P energy: -89.048
tors. eta vs tors. theta energy: -146.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1785.444872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.444872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.444872 (E_RNA)
where:
Base-Base interactions energy: -1233.993
where: short stacking energy: -530.190
Base-Backbone interact. energy: -3.408
local terms energy: -548.043402
where:
bonds (distance) C4'-P energy: -104.283
bonds (distance) P-C4' energy: -112.199
flat angles C4'-P-C4' energy: -110.438
flat angles P-C4'-P energy: -74.101
tors. eta vs tors. theta energy: -147.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1734.078370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.078370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.078370 (E_RNA)
where:
Base-Base interactions energy: -1223.055
where: short stacking energy: -490.872
Base-Backbone interact. energy: -2.771
local terms energy: -508.252695
where:
bonds (distance) C4'-P energy: -109.684
bonds (distance) P-C4' energy: -87.047
flat angles C4'-P-C4' energy: -99.225
flat angles P-C4'-P energy: -77.219
tors. eta vs tors. theta energy: -135.079
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: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1596.901481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.901481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.901481 (E_RNA)
where:
Base-Base interactions energy: -1112.842
where: short stacking energy: -486.937
Base-Backbone interact. energy: -2.809
local terms energy: -481.250240
where:
bonds (distance) C4'-P energy: -106.389
bonds (distance) P-C4' energy: -91.002
flat angles C4'-P-C4' energy: -98.377
flat angles P-C4'-P energy: -62.257
tors. eta vs tors. theta energy: -123.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1577.057870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.057870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.057870 (E_RNA)
where:
Base-Base interactions energy: -1126.617
where: short stacking energy: -446.417
Base-Backbone interact. energy: -0.120
local terms energy: -450.321284
where:
bonds (distance) C4'-P energy: -82.391
bonds (distance) P-C4' energy: -85.319
flat angles C4'-P-C4' energy: -97.758
flat angles P-C4'-P energy: -71.675
tors. eta vs tors. theta energy: -113.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1539.072411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.072411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.072411 (E_RNA)
where:
Base-Base interactions energy: -1081.537
where: short stacking energy: -444.154
Base-Backbone interact. energy: 2.047
local terms energy: -459.582827
where:
bonds (distance) C4'-P energy: -84.887
bonds (distance) P-C4' energy: -84.078
flat angles C4'-P-C4' energy: -101.970
flat angles P-C4'-P energy: -62.337
tors. eta vs tors. theta energy: -126.311
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: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1345.386356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.386356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.386356 (E_RNA)
where:
Base-Base interactions energy: -934.193
where: short stacking energy: -418.944
Base-Backbone interact. energy: 3.621
local terms energy: -414.814428
where:
bonds (distance) C4'-P energy: -68.693
bonds (distance) P-C4' energy: -97.885
flat angles C4'-P-C4' energy: -86.720
flat angles P-C4'-P energy: -61.540
tors. eta vs tors. theta energy: -99.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1206.002492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.002492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.002492 (E_RNA)
where:
Base-Base interactions energy: -836.244
where: short stacking energy: -363.534
Base-Backbone interact. energy: -0.376
local terms energy: -369.383130
where:
bonds (distance) C4'-P energy: -69.413
bonds (distance) P-C4' energy: -81.284
flat angles C4'-P-C4' energy: -85.494
flat angles P-C4'-P energy: -60.106
tors. eta vs tors. theta energy: -73.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -904.565110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.565110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.565110 (E_RNA)
where:
Base-Base interactions energy: -567.738
where: short stacking energy: -258.524
Base-Backbone interact. energy: -3.060
local terms energy: -333.767656
where:
bonds (distance) C4'-P energy: -83.497
bonds (distance) P-C4' energy: -86.459
flat angles C4'-P-C4' energy: -85.279
flat angles P-C4'-P energy: -34.106
tors. eta vs tors. theta energy: -44.427
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: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -583.350520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.350520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.350520 (E_RNA)
where:
Base-Base interactions energy: -295.220
where: short stacking energy: -172.283
Base-Backbone interact. energy: -0.315
local terms energy: -287.815510
where:
bonds (distance) C4'-P energy: -88.563
bonds (distance) P-C4' energy: -84.083
flat angles C4'-P-C4' energy: -72.666
flat angles P-C4'-P energy: -44.609
tors. eta vs tors. theta energy: 2.106
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: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1842.156360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.156360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.156360 (E_RNA)
where:
Base-Base interactions energy: -1281.200
where: short stacking energy: -531.192
Base-Backbone interact. energy: 0.259
local terms energy: -561.215426
where:
bonds (distance) C4'-P energy: -100.530
bonds (distance) P-C4' energy: -104.301
flat angles C4'-P-C4' energy: -121.645
flat angles P-C4'-P energy: -85.021
tors. eta vs tors. theta energy: -149.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1794.604477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.604477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.604477 (E_RNA)
where:
Base-Base interactions energy: -1261.088
where: short stacking energy: -527.125
Base-Backbone interact. energy: -2.445
local terms energy: -531.071014
where:
bonds (distance) C4'-P energy: -98.628
bonds (distance) P-C4' energy: -94.149
flat angles C4'-P-C4' energy: -111.814
flat angles P-C4'-P energy: -76.146
tors. eta vs tors. theta energy: -150.334
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: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1710.865169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.865169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.865169 (E_RNA)
where:
Base-Base interactions energy: -1183.892
where: short stacking energy: -478.930
Base-Backbone interact. energy: -2.462
local terms energy: -524.510810
where:
bonds (distance) C4'-P energy: -105.550
bonds (distance) P-C4' energy: -104.653
flat angles C4'-P-C4' energy: -105.921
flat angles P-C4'-P energy: -70.590
tors. eta vs tors. theta energy: -137.797
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: 387
Temperature: 1.050000
Total energy: -1619.007982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.007982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.007982 (E_RNA)
where:
Base-Base interactions energy: -1119.613
where: short stacking energy: -468.208
Base-Backbone interact. energy: -1.655
local terms energy: -497.739963
where:
bonds (distance) C4'-P energy: -98.110
bonds (distance) P-C4' energy: -96.353
flat angles C4'-P-C4' energy: -108.740
flat angles P-C4'-P energy: -74.958
tors. eta vs tors. theta energy: -119.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1579.608353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.608353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.608353 (E_RNA)
where:
Base-Base interactions energy: -1104.436
where: short stacking energy: -435.610
Base-Backbone interact. energy: -1.700
local terms energy: -473.473249
where:
bonds (distance) C4'-P energy: -103.292
bonds (distance) P-C4' energy: -81.678
flat angles C4'-P-C4' energy: -103.767
flat angles P-C4'-P energy: -62.047
tors. eta vs tors. theta energy: -122.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1498.068580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.068580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.068580 (E_RNA)
where:
Base-Base interactions energy: -1053.710
where: short stacking energy: -412.960
Base-Backbone interact. energy: -2.541
local terms energy: -441.817878
where:
bonds (distance) C4'-P energy: -89.572
bonds (distance) P-C4' energy: -97.934
flat angles C4'-P-C4' energy: -96.659
flat angles P-C4'-P energy: -59.919
tors. eta vs tors. theta energy: -97.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1316.943004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.943004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.943004 (E_RNA)
where:
Base-Base interactions energy: -898.053
where: short stacking energy: -382.607
Base-Backbone interact. energy: -0.552
local terms energy: -418.337377
where:
bonds (distance) C4'-P energy: -79.517
bonds (distance) P-C4' energy: -97.336
flat angles C4'-P-C4' energy: -88.191
flat angles P-C4'-P energy: -58.823
tors. eta vs tors. theta energy: -94.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1217.112840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.112840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.112840 (E_RNA)
where:
Base-Base interactions energy: -823.476
where: short stacking energy: -353.592
Base-Backbone interact. energy: 0.195
local terms energy: -393.831665
where:
bonds (distance) C4'-P energy: -84.621
bonds (distance) P-C4' energy: -87.777
flat angles C4'-P-C4' energy: -69.825
flat angles P-C4'-P energy: -67.242
tors. eta vs tors. theta energy: -84.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -867.097252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.097252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.097252 (E_RNA)
where:
Base-Base interactions energy: -508.872
where: short stacking energy: -244.821
Base-Backbone interact. energy: 0.587
local terms energy: -358.811774
where:
bonds (distance) C4'-P energy: -80.446
bonds (distance) P-C4' energy: -81.449
flat angles C4'-P-C4' energy: -88.235
flat angles P-C4'-P energy: -62.627
tors. eta vs tors. theta energy: -46.055
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: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -563.301590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.301590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.301590 (E_RNA)
where:
Base-Base interactions energy: -277.675
where: short stacking energy: -175.005
Base-Backbone interact. energy: 1.348
local terms energy: -286.974612
where:
bonds (distance) C4'-P energy: -63.631
bonds (distance) P-C4' energy: -87.261
flat angles C4'-P-C4' energy: -88.683
flat angles P-C4'-P energy: -41.599
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1807.177953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.177953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.177953 (E_RNA)
where:
Base-Base interactions energy: -1261.378
where: short stacking energy: -518.095
Base-Backbone interact. energy: -4.117
local terms energy: -541.682784
where:
bonds (distance) C4'-P energy: -101.858
bonds (distance) P-C4' energy: -100.238
flat angles C4'-P-C4' energy: -122.630
flat angles P-C4'-P energy: -73.048
tors. eta vs tors. theta energy: -143.909
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: 388
Temperature: 0.950000
Total energy: -1760.367209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.367209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.367209 (E_RNA)
where:
Base-Base interactions energy: -1228.962
where: short stacking energy: -533.869
Base-Backbone interact. energy: -2.535
local terms energy: -528.870076
where:
bonds (distance) C4'-P energy: -84.034
bonds (distance) P-C4' energy: -105.135
flat angles C4'-P-C4' energy: -107.261
flat angles P-C4'-P energy: -75.255
tors. eta vs tors. theta energy: -157.185
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: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1711.517964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.517964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.517964 (E_RNA)
where:
Base-Base interactions energy: -1193.333
where: short stacking energy: -502.165
Base-Backbone interact. energy: -1.987
local terms energy: -516.198590
where:
bonds (distance) C4'-P energy: -95.345
bonds (distance) P-C4' energy: -109.559
flat angles C4'-P-C4' energy: -105.297
flat angles P-C4'-P energy: -71.911
tors. eta vs tors. theta energy: -134.087
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: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1596.304301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.304301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.304301 (E_RNA)
where:
Base-Base interactions energy: -1132.288
where: short stacking energy: -442.010
Base-Backbone interact. energy: -2.175
local terms energy: -461.840780
where:
bonds (distance) C4'-P energy: -91.406
bonds (distance) P-C4' energy: -92.575
flat angles C4'-P-C4' energy: -98.473
flat angles P-C4'-P energy: -65.860
tors. eta vs tors. theta energy: -113.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1613.927215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.927215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.927215 (E_RNA)
where:
Base-Base interactions energy: -1145.596
where: short stacking energy: -450.108
Base-Backbone interact. energy: -0.263
local terms energy: -468.068367
where:
bonds (distance) C4'-P energy: -101.053
bonds (distance) P-C4' energy: -86.510
flat angles C4'-P-C4' energy: -98.719
flat angles P-C4'-P energy: -72.707
tors. eta vs tors. theta energy: -109.080
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: 388
Temperature: 1.150000
Total energy: -1519.884993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.884993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.884993 (E_RNA)
where:
Base-Base interactions energy: -1102.745
where: short stacking energy: -426.114
Base-Backbone interact. energy: 3.220
local terms energy: -420.359917
where:
bonds (distance) C4'-P energy: -76.590
bonds (distance) P-C4' energy: -92.617
flat angles C4'-P-C4' energy: -93.711
flat angles P-C4'-P energy: -55.106
tors. eta vs tors. theta energy: -102.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1325.979139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.979139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.979139 (E_RNA)
where:
Base-Base interactions energy: -888.543
where: short stacking energy: -370.352
Base-Backbone interact. energy: 3.750
local terms energy: -441.185364
where:
bonds (distance) C4'-P energy: -83.421
bonds (distance) P-C4' energy: -88.311
flat angles C4'-P-C4' energy: -99.364
flat angles P-C4'-P energy: -69.642
tors. eta vs tors. theta energy: -100.448
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: 388
Temperature: 1.250000
Total energy: -1185.993359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.993359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.993359 (E_RNA)
where:
Base-Base interactions energy: -799.562
where: short stacking energy: -341.108
Base-Backbone interact. energy: 2.417
local terms energy: -388.847748
where:
bonds (distance) C4'-P energy: -83.448
bonds (distance) P-C4' energy: -86.240
flat angles C4'-P-C4' energy: -87.519
flat angles P-C4'-P energy: -55.521
tors. eta vs tors. theta energy: -76.121
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: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -864.249574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.249574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.249574 (E_RNA)
where:
Base-Base interactions energy: -506.248
where: short stacking energy: -245.816
Base-Backbone interact. energy: -1.788
local terms energy: -356.213222
where:
bonds (distance) C4'-P energy: -80.286
bonds (distance) P-C4' energy: -93.617
flat angles C4'-P-C4' energy: -87.210
flat angles P-C4'-P energy: -54.011
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: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -526.408423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.408423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.408423 (E_RNA)
where:
Base-Base interactions energy: -263.218
where: short stacking energy: -161.919
Base-Backbone interact. energy: -1.443
local terms energy: -261.748069
where:
bonds (distance) C4'-P energy: -63.919
bonds (distance) P-C4' energy: -72.129
flat angles C4'-P-C4' energy: -79.322
flat angles P-C4'-P energy: -50.752
tors. eta vs tors. theta energy: 4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1829.494428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.494428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.494428 (E_RNA)
where:
Base-Base interactions energy: -1278.288
where: short stacking energy: -532.002
Base-Backbone interact. energy: -4.331
local terms energy: -546.875356
where:
bonds (distance) C4'-P energy: -99.447
bonds (distance) P-C4' energy: -107.933
flat angles C4'-P-C4' energy: -113.384
flat angles P-C4'-P energy: -76.835
tors. eta vs tors. theta energy: -149.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1740.680908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.680908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.680908 (E_RNA)
where:
Base-Base interactions energy: -1229.684
where: short stacking energy: -512.126
Base-Backbone interact. energy: -3.682
local terms energy: -507.314871
where:
bonds (distance) C4'-P energy: -91.208
bonds (distance) P-C4' energy: -104.594
flat angles C4'-P-C4' energy: -100.687
flat angles P-C4'-P energy: -59.672
tors. eta vs tors. theta energy: -151.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1723.986105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.986105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.986105 (E_RNA)
where:
Base-Base interactions energy: -1205.866
where: short stacking energy: -503.528
Base-Backbone interact. energy: -1.342
local terms energy: -516.777848
where:
bonds (distance) C4'-P energy: -100.240
bonds (distance) P-C4' energy: -98.535
flat angles C4'-P-C4' energy: -106.651
flat angles P-C4'-P energy: -70.585
tors. eta vs tors. theta energy: -140.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1597.239505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.239505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.239505 (E_RNA)
where:
Base-Base interactions energy: -1109.290
where: short stacking energy: -463.550
Base-Backbone interact. energy: -2.348
local terms energy: -485.601776
where:
bonds (distance) C4'-P energy: -85.775
bonds (distance) P-C4' energy: -92.557
flat angles C4'-P-C4' energy: -112.380
flat angles P-C4'-P energy: -71.490
tors. eta vs tors. theta energy: -123.399
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: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1554.369261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.369261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.369261 (E_RNA)
where:
Base-Base interactions energy: -1053.415
where: short stacking energy: -435.041
Base-Backbone interact. energy: -2.607
local terms energy: -498.347519
where:
bonds (distance) C4'-P energy: -92.708
bonds (distance) P-C4' energy: -99.246
flat angles C4'-P-C4' energy: -108.070
flat angles P-C4'-P energy: -79.534
tors. eta vs tors. theta energy: -118.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1510.150177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.150177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.150177 (E_RNA)
where:
Base-Base interactions energy: -1068.727
where: short stacking energy: -435.903
Base-Backbone interact. energy: -1.514
local terms energy: -439.909555
where:
bonds (distance) C4'-P energy: -68.026
bonds (distance) P-C4' energy: -102.771
flat angles C4'-P-C4' energy: -98.125
flat angles P-C4'-P energy: -58.292
tors. eta vs tors. theta energy: -112.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1325.107044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.107044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.107044 (E_RNA)
where:
Base-Base interactions energy: -893.865
where: short stacking energy: -403.016
Base-Backbone interact. energy: -0.716
local terms energy: -430.526186
where:
bonds (distance) C4'-P energy: -72.623
bonds (distance) P-C4' energy: -87.118
flat angles C4'-P-C4' energy: -107.565
flat angles P-C4'-P energy: -65.505
tors. eta vs tors. theta energy: -97.715
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: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1172.401145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.401145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.401145 (E_RNA)
where:
Base-Base interactions energy: -788.548
where: short stacking energy: -328.113
Base-Backbone interact. energy: -0.423
local terms energy: -383.430430
where:
bonds (distance) C4'-P energy: -92.596
bonds (distance) P-C4' energy: -86.715
flat angles C4'-P-C4' energy: -78.294
flat angles P-C4'-P energy: -45.880
tors. eta vs tors. theta energy: -79.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -797.561014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.561014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.561014 (E_RNA)
where:
Base-Base interactions energy: -449.812
where: short stacking energy: -228.779
Base-Backbone interact. energy: -1.294
local terms energy: -346.455532
where:
bonds (distance) C4'-P energy: -88.331
bonds (distance) P-C4' energy: -90.631
flat angles C4'-P-C4' energy: -92.184
flat angles P-C4'-P energy: -43.626
tors. eta vs tors. theta energy: -31.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -523.599560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.599560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.599560 (E_RNA)
where:
Base-Base interactions energy: -266.535
where: short stacking energy: -166.185
Base-Backbone interact. energy: -2.062
local terms energy: -255.002653
where:
bonds (distance) C4'-P energy: -94.253
bonds (distance) P-C4' energy: -80.191
flat angles C4'-P-C4' energy: -66.506
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: 8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1811.281871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.281871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.281871 (E_RNA)
where:
Base-Base interactions energy: -1269.957
where: short stacking energy: -521.021
Base-Backbone interact. energy: -0.334
local terms energy: -540.991140
where:
bonds (distance) C4'-P energy: -85.207
bonds (distance) P-C4' energy: -111.922
flat angles C4'-P-C4' energy: -125.816
flat angles P-C4'-P energy: -77.430
tors. eta vs tors. theta energy: -140.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1747.613885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.613885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.613885 (E_RNA)
where:
Base-Base interactions energy: -1229.150
where: short stacking energy: -519.093
Base-Backbone interact. energy: -0.352
local terms energy: -518.111873
where:
bonds (distance) C4'-P energy: -85.677
bonds (distance) P-C4' energy: -105.386
flat angles C4'-P-C4' energy: -107.192
flat angles P-C4'-P energy: -74.182
tors. eta vs tors. theta energy: -145.675
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: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1695.485736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.485736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.485736 (E_RNA)
where:
Base-Base interactions energy: -1184.632
where: short stacking energy: -485.355
Base-Backbone interact. energy: 2.636
local terms energy: -513.489913
where:
bonds (distance) C4'-P energy: -90.947
bonds (distance) P-C4' energy: -90.711
flat angles C4'-P-C4' energy: -111.612
flat angles P-C4'-P energy: -77.112
tors. eta vs tors. theta energy: -143.108
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: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1604.675590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.675590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.675590 (E_RNA)
where:
Base-Base interactions energy: -1142.661
where: short stacking energy: -459.720
Base-Backbone interact. energy: -0.030
local terms energy: -461.984538
where:
bonds (distance) C4'-P energy: -88.198
bonds (distance) P-C4' energy: -95.356
flat angles C4'-P-C4' energy: -100.989
flat angles P-C4'-P energy: -64.788
tors. eta vs tors. theta energy: -112.654
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: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1615.133953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.133953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.133953 (E_RNA)
where:
Base-Base interactions energy: -1137.792
where: short stacking energy: -470.834
Base-Backbone interact. energy: -0.913
local terms energy: -476.428572
where:
bonds (distance) C4'-P energy: -84.990
bonds (distance) P-C4' energy: -92.929
flat angles C4'-P-C4' energy: -102.307
flat angles P-C4'-P energy: -72.827
tors. eta vs tors. theta energy: -123.374
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: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1514.996112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.996112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.996112 (E_RNA)
where:
Base-Base interactions energy: -1047.742
where: short stacking energy: -437.556
Base-Backbone interact. energy: 3.003
local terms energy: -470.257900
where:
bonds (distance) C4'-P energy: -79.545
bonds (distance) P-C4' energy: -90.596
flat angles C4'-P-C4' energy: -109.695
flat angles P-C4'-P energy: -74.219
tors. eta vs tors. theta energy: -116.203
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: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1302.830175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.830175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.830175 (E_RNA)
where:
Base-Base interactions energy: -873.031
where: short stacking energy: -350.911
Base-Backbone interact. energy: -1.980
local terms energy: -427.819458
where:
bonds (distance) C4'-P energy: -82.207
bonds (distance) P-C4' energy: -100.582
flat angles C4'-P-C4' energy: -90.847
flat angles P-C4'-P energy: -65.229
tors. eta vs tors. theta energy: -88.955
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: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1177.847144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.847144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.847144 (E_RNA)
where:
Base-Base interactions energy: -777.247
where: short stacking energy: -343.321
Base-Backbone interact. energy: -3.720
local terms energy: -396.880134
where:
bonds (distance) C4'-P energy: -91.502
bonds (distance) P-C4' energy: -75.019
flat angles C4'-P-C4' energy: -92.613
flat angles P-C4'-P energy: -64.577
tors. eta vs tors. theta energy: -73.168
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: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -816.776216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.776216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.776216 (E_RNA)
where:
Base-Base interactions energy: -464.673
where: short stacking energy: -231.300
Base-Backbone interact. energy: 4.610
local terms energy: -356.714008
where:
bonds (distance) C4'-P energy: -82.627
bonds (distance) P-C4' energy: -96.260
flat angles C4'-P-C4' energy: -83.964
flat angles P-C4'-P energy: -56.647
tors. eta vs tors. theta energy: -37.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -578.048401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.048401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.048401 (E_RNA)
where:
Base-Base interactions energy: -300.493
where: short stacking energy: -178.243
Base-Backbone interact. energy: -1.769
local terms energy: -275.785827
where:
bonds (distance) C4'-P energy: -74.461
bonds (distance) P-C4' energy: -87.209
flat angles C4'-P-C4' energy: -57.031
flat angles P-C4'-P energy: -49.943
tors. eta vs tors. theta energy: -7.142
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: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1844.278703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.278703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.278703 (E_RNA)
where:
Base-Base interactions energy: -1288.631
where: short stacking energy: -525.987
Base-Backbone interact. energy: -3.567
local terms energy: -552.080532
where:
bonds (distance) C4'-P energy: -94.314
bonds (distance) P-C4' energy: -113.001
flat angles C4'-P-C4' energy: -119.531
flat angles P-C4'-P energy: -81.579
tors. eta vs tors. theta energy: -143.654
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: 391
Temperature: 0.950000
Total energy: -1763.853838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.853838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.853838 (E_RNA)
where:
Base-Base interactions energy: -1245.019
where: short stacking energy: -518.981
Base-Backbone interact. energy: -4.396
local terms energy: -514.438380
where:
bonds (distance) C4'-P energy: -86.762
bonds (distance) P-C4' energy: -100.990
flat angles C4'-P-C4' energy: -108.424
flat angles P-C4'-P energy: -65.485
tors. eta vs tors. theta energy: -152.776
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: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1703.758015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.758015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.758015 (E_RNA)
where:
Base-Base interactions energy: -1195.687
where: short stacking energy: -504.262
Base-Backbone interact. energy: 1.871
local terms energy: -509.942038
where:
bonds (distance) C4'-P energy: -96.063
bonds (distance) P-C4' energy: -87.213
flat angles C4'-P-C4' energy: -118.279
flat angles P-C4'-P energy: -74.061
tors. eta vs tors. theta energy: -134.325
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: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1652.341152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.341152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.341152 (E_RNA)
where:
Base-Base interactions energy: -1163.760
where: short stacking energy: -472.659
Base-Backbone interact. energy: -2.367
local terms energy: -486.213668
where:
bonds (distance) C4'-P energy: -76.118
bonds (distance) P-C4' energy: -90.882
flat angles C4'-P-C4' energy: -113.339
flat angles P-C4'-P energy: -79.568
tors. eta vs tors. theta energy: -126.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1576.561917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.561917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.561917 (E_RNA)
where:
Base-Base interactions energy: -1105.555
where: short stacking energy: -427.656
Base-Backbone interact. energy: -1.011
local terms energy: -469.995663
where:
bonds (distance) C4'-P energy: -91.918
bonds (distance) P-C4' energy: -96.193
flat angles C4'-P-C4' energy: -105.048
flat angles P-C4'-P energy: -67.458
tors. eta vs tors. theta energy: -109.378
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: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1514.511577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.511577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.511577 (E_RNA)
where:
Base-Base interactions energy: -1061.190
where: short stacking energy: -444.881
Base-Backbone interact. energy: -3.950
local terms energy: -449.372174
where:
bonds (distance) C4'-P energy: -89.424
bonds (distance) P-C4' energy: -90.323
flat angles C4'-P-C4' energy: -96.408
flat angles P-C4'-P energy: -59.440
tors. eta vs tors. theta energy: -113.777
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: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1359.608733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.608733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.608733 (E_RNA)
where:
Base-Base interactions energy: -944.178
where: short stacking energy: -407.780
Base-Backbone interact. energy: -2.169
local terms energy: -413.261475
where:
bonds (distance) C4'-P energy: -89.279
bonds (distance) P-C4' energy: -82.216
flat angles C4'-P-C4' energy: -102.504
flat angles P-C4'-P energy: -49.067
tors. eta vs tors. theta energy: -90.195
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: 391
Temperature: 1.250000
Total energy: -1163.427599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.427599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.427599 (E_RNA)
where:
Base-Base interactions energy: -782.317
where: short stacking energy: -330.174
Base-Backbone interact. energy: 4.783
local terms energy: -385.893203
where:
bonds (distance) C4'-P energy: -65.263
bonds (distance) P-C4' energy: -88.279
flat angles C4'-P-C4' energy: -84.951
flat angles P-C4'-P energy: -75.322
tors. eta vs tors. theta energy: -72.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -809.977141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.977141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.977141 (E_RNA)
where:
Base-Base interactions energy: -481.416
where: short stacking energy: -236.656
Base-Backbone interact. energy: -2.033
local terms energy: -326.528028
where:
bonds (distance) C4'-P energy: -75.467
bonds (distance) P-C4' energy: -92.632
flat angles C4'-P-C4' energy: -72.113
flat angles P-C4'-P energy: -48.507
tors. eta vs tors. theta energy: -37.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -564.408507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.408507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.408507 (E_RNA)
where:
Base-Base interactions energy: -266.831
where: short stacking energy: -179.257
Base-Backbone interact. energy: 0.885
local terms energy: -298.461983
where:
bonds (distance) C4'-P energy: -68.256
bonds (distance) P-C4' energy: -95.961
flat angles C4'-P-C4' energy: -68.509
flat angles P-C4'-P energy: -55.885
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1821.769527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.769527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.769527 (E_RNA)
where:
Base-Base interactions energy: -1279.377
where: short stacking energy: -539.720
Base-Backbone interact. energy: -4.708
local terms energy: -537.684066
where:
bonds (distance) C4'-P energy: -101.983
bonds (distance) P-C4' energy: -106.290
flat angles C4'-P-C4' energy: -109.909
flat angles P-C4'-P energy: -68.055
tors. eta vs tors. theta energy: -151.447
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: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1783.778044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.778044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.778044 (E_RNA)
where:
Base-Base interactions energy: -1248.593
where: short stacking energy: -520.040
Base-Backbone interact. energy: -2.615
local terms energy: -532.569586
where:
bonds (distance) C4'-P energy: -109.912
bonds (distance) P-C4' energy: -107.601
flat angles C4'-P-C4' energy: -100.784
flat angles P-C4'-P energy: -72.122
tors. eta vs tors. theta energy: -142.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1715.901810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.901810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.901810 (E_RNA)
where:
Base-Base interactions energy: -1195.593
where: short stacking energy: -473.712
Base-Backbone interact. energy: -0.532
local terms energy: -519.777329
where:
bonds (distance) C4'-P energy: -101.602
bonds (distance) P-C4' energy: -98.805
flat angles C4'-P-C4' energy: -110.468
flat angles P-C4'-P energy: -72.088
tors. eta vs tors. theta energy: -136.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1644.462563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.462563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.462563 (E_RNA)
where:
Base-Base interactions energy: -1148.181
where: short stacking energy: -436.387
Base-Backbone interact. energy: 7.132
local terms energy: -503.413844
where:
bonds (distance) C4'-P energy: -107.035
bonds (distance) P-C4' energy: -99.544
flat angles C4'-P-C4' energy: -111.585
flat angles P-C4'-P energy: -72.822
tors. eta vs tors. theta energy: -112.428
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: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1585.745064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.745064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.745064 (E_RNA)
where:
Base-Base interactions energy: -1114.451
where: short stacking energy: -451.922
Base-Backbone interact. energy: 0.076
local terms energy: -471.369951
where:
bonds (distance) C4'-P energy: -100.818
bonds (distance) P-C4' energy: -92.746
flat angles C4'-P-C4' energy: -105.986
flat angles P-C4'-P energy: -57.557
tors. eta vs tors. theta energy: -114.263
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: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1445.580936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.580936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.580936 (E_RNA)
where:
Base-Base interactions energy: -1014.275
where: short stacking energy: -429.949
Base-Backbone interact. energy: -3.522
local terms energy: -427.784098
where:
bonds (distance) C4'-P energy: -77.488
bonds (distance) P-C4' energy: -82.213
flat angles C4'-P-C4' energy: -97.595
flat angles P-C4'-P energy: -66.163
tors. eta vs tors. theta energy: -104.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1326.158728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.158728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.158728 (E_RNA)
where:
Base-Base interactions energy: -912.459
where: short stacking energy: -372.704
Base-Backbone interact. energy: -2.499
local terms energy: -411.200832
where:
bonds (distance) C4'-P energy: -99.445
bonds (distance) P-C4' energy: -85.079
flat angles C4'-P-C4' energy: -90.926
flat angles P-C4'-P energy: -54.407
tors. eta vs tors. theta energy: -81.343
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: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1115.331533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.331533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.331533 (E_RNA)
where:
Base-Base interactions energy: -745.757
where: short stacking energy: -318.092
Base-Backbone interact. energy: -1.817
local terms energy: -367.758221
where:
bonds (distance) C4'-P energy: -75.987
bonds (distance) P-C4' energy: -83.766
flat angles C4'-P-C4' energy: -89.623
flat angles P-C4'-P energy: -55.609
tors. eta vs tors. theta energy: -62.774
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: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -837.215439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.215439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.215439 (E_RNA)
where:
Base-Base interactions energy: -524.587
where: short stacking energy: -222.304
Base-Backbone interact. energy: 1.617
local terms energy: -314.245313
where:
bonds (distance) C4'-P energy: -81.018
bonds (distance) P-C4' energy: -82.837
flat angles C4'-P-C4' energy: -85.484
flat angles P-C4'-P energy: -41.146
tors. eta vs tors. theta energy: -23.760
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: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -556.858407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.858407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.858407 (E_RNA)
where:
Base-Base interactions energy: -272.937
where: short stacking energy: -141.881
Base-Backbone interact. energy: -0.055
local terms energy: -283.865961
where:
bonds (distance) C4'-P energy: -77.831
bonds (distance) P-C4' energy: -94.213
flat angles C4'-P-C4' energy: -73.245
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: -3.355
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: 393
Temperature: 0.900000
Total energy: -1817.648000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.648000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.648000 (E_RNA)
where:
Base-Base interactions energy: -1266.560
where: short stacking energy: -510.532
Base-Backbone interact. energy: -4.086
local terms energy: -547.002687
where:
bonds (distance) C4'-P energy: -102.698
bonds (distance) P-C4' energy: -102.596
flat angles C4'-P-C4' energy: -121.477
flat angles P-C4'-P energy: -75.007
tors. eta vs tors. theta energy: -145.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1786.390954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.390954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.390954 (E_RNA)
where:
Base-Base interactions energy: -1241.421
where: short stacking energy: -523.727
Base-Backbone interact. energy: -1.111
local terms energy: -543.859437
where:
bonds (distance) C4'-P energy: -97.189
bonds (distance) P-C4' energy: -106.770
flat angles C4'-P-C4' energy: -119.762
flat angles P-C4'-P energy: -81.533
tors. eta vs tors. theta energy: -138.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1717.224315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.224315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.224315 (E_RNA)
where:
Base-Base interactions energy: -1194.040
where: short stacking energy: -494.030
Base-Backbone interact. energy: -3.930
local terms energy: -519.254494
where:
bonds (distance) C4'-P energy: -91.955
bonds (distance) P-C4' energy: -114.494
flat angles C4'-P-C4' energy: -114.287
flat angles P-C4'-P energy: -69.018
tors. eta vs tors. theta energy: -129.500
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: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1611.665315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.665315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.665315 (E_RNA)
where:
Base-Base interactions energy: -1121.380
where: short stacking energy: -457.116
Base-Backbone interact. energy: -1.786
local terms energy: -488.499449
where:
bonds (distance) C4'-P energy: -87.608
bonds (distance) P-C4' energy: -97.488
flat angles C4'-P-C4' energy: -111.233
flat angles P-C4'-P energy: -70.224
tors. eta vs tors. theta energy: -121.946
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: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1539.736128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.736128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.736128 (E_RNA)
where:
Base-Base interactions energy: -1077.817
where: short stacking energy: -452.028
Base-Backbone interact. energy: -0.996
local terms energy: -460.923833
where:
bonds (distance) C4'-P energy: -88.367
bonds (distance) P-C4' energy: -90.480
flat angles C4'-P-C4' energy: -111.519
flat angles P-C4'-P energy: -59.972
tors. eta vs tors. theta energy: -110.585
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: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1377.059456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.059456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.059456 (E_RNA)
where:
Base-Base interactions energy: -948.775
where: short stacking energy: -408.538
Base-Backbone interact. energy: -2.030
local terms energy: -426.254528
where:
bonds (distance) C4'-P energy: -78.446
bonds (distance) P-C4' energy: -97.346
flat angles C4'-P-C4' energy: -95.377
flat angles P-C4'-P energy: -56.810
tors. eta vs tors. theta energy: -98.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1399.987123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.987123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.987123 (E_RNA)
where:
Base-Base interactions energy: -959.792
where: short stacking energy: -430.167
Base-Backbone interact. energy: 0.165
local terms energy: -440.360612
where:
bonds (distance) C4'-P energy: -82.402
bonds (distance) P-C4' energy: -88.204
flat angles C4'-P-C4' energy: -101.397
flat angles P-C4'-P energy: -62.799
tors. eta vs tors. theta energy: -105.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1073.054711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.054711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.054711 (E_RNA)
where:
Base-Base interactions energy: -734.057
where: short stacking energy: -329.900
Base-Backbone interact. energy: -4.584
local terms energy: -334.413860
where:
bonds (distance) C4'-P energy: -68.044
bonds (distance) P-C4' energy: -83.169
flat angles C4'-P-C4' energy: -74.336
flat angles P-C4'-P energy: -49.606
tors. eta vs tors. theta energy: -59.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -893.720653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.720653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.720653 (E_RNA)
where:
Base-Base interactions energy: -595.630
where: short stacking energy: -260.128
Base-Backbone interact. energy: -4.672
local terms energy: -293.419070
where:
bonds (distance) C4'-P energy: -64.177
bonds (distance) P-C4' energy: -66.211
flat angles C4'-P-C4' energy: -94.402
flat angles P-C4'-P energy: -35.105
tors. eta vs tors. theta energy: -33.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -565.822979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.822979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.822979 (E_RNA)
where:
Base-Base interactions energy: -274.500
where: short stacking energy: -163.273
Base-Backbone interact. energy: 3.343
local terms energy: -294.665786
where:
bonds (distance) C4'-P energy: -91.403
bonds (distance) P-C4' energy: -79.304
flat angles C4'-P-C4' energy: -70.273
flat angles P-C4'-P energy: -55.998
tors. eta vs tors. theta energy: 2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1826.628950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.628950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.628950 (E_RNA)
where:
Base-Base interactions energy: -1279.283
where: short stacking energy: -506.638
Base-Backbone interact. energy: -3.127
local terms energy: -544.218953
where:
bonds (distance) C4'-P energy: -106.844
bonds (distance) P-C4' energy: -105.260
flat angles C4'-P-C4' energy: -121.749
flat angles P-C4'-P energy: -73.698
tors. eta vs tors. theta energy: -136.668
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: 394
Temperature: 0.950000
Total energy: -1793.667413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.667413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.667413 (E_RNA)
where:
Base-Base interactions energy: -1245.818
where: short stacking energy: -534.318
Base-Backbone interact. energy: -2.859
local terms energy: -544.990423
where:
bonds (distance) C4'-P energy: -95.798
bonds (distance) P-C4' energy: -111.920
flat angles C4'-P-C4' energy: -112.924
flat angles P-C4'-P energy: -71.189
tors. eta vs tors. theta energy: -153.160
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: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1697.392878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.392878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.392878 (E_RNA)
where:
Base-Base interactions energy: -1182.303
where: short stacking energy: -481.667
Base-Backbone interact. energy: -1.345
local terms energy: -513.744472
where:
bonds (distance) C4'-P energy: -91.510
bonds (distance) P-C4' energy: -99.854
flat angles C4'-P-C4' energy: -113.115
flat angles P-C4'-P energy: -76.602
tors. eta vs tors. theta energy: -132.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1650.581071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.581071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.581071 (E_RNA)
where:
Base-Base interactions energy: -1170.993
where: short stacking energy: -488.763
Base-Backbone interact. energy: -4.657
local terms energy: -474.931679
where:
bonds (distance) C4'-P energy: -82.949
bonds (distance) P-C4' energy: -95.528
flat angles C4'-P-C4' energy: -107.179
flat angles P-C4'-P energy: -75.203
tors. eta vs tors. theta energy: -114.072
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: 394
Temperature: 1.100000
Total energy: -1544.611272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.611272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.611272 (E_RNA)
where:
Base-Base interactions energy: -1042.889
where: short stacking energy: -455.902
Base-Backbone interact. energy: -0.797
local terms energy: -500.925661
where:
bonds (distance) C4'-P energy: -95.315
bonds (distance) P-C4' energy: -95.256
flat angles C4'-P-C4' energy: -122.013
flat angles P-C4'-P energy: -62.510
tors. eta vs tors. theta energy: -125.832
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: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1436.444352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.444352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.444352 (E_RNA)
where:
Base-Base interactions energy: -998.059
where: short stacking energy: -400.795
Base-Backbone interact. energy: 3.929
local terms energy: -442.314580
where:
bonds (distance) C4'-P energy: -82.775
bonds (distance) P-C4' energy: -76.814
flat angles C4'-P-C4' energy: -100.346
flat angles P-C4'-P energy: -69.714
tors. eta vs tors. theta energy: -112.665
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: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1365.841955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.841955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.841955 (E_RNA)
where:
Base-Base interactions energy: -935.909
where: short stacking energy: -395.247
Base-Backbone interact. energy: -1.373
local terms energy: -428.559430
where:
bonds (distance) C4'-P energy: -87.305
bonds (distance) P-C4' energy: -100.418
flat angles C4'-P-C4' energy: -90.694
flat angles P-C4'-P energy: -62.097
tors. eta vs tors. theta energy: -88.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1054.848110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.848110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.848110 (E_RNA)
where:
Base-Base interactions energy: -708.559
where: short stacking energy: -300.553
Base-Backbone interact. energy: 0.983
local terms energy: -347.271272
where:
bonds (distance) C4'-P energy: -93.878
bonds (distance) P-C4' energy: -87.087
flat angles C4'-P-C4' energy: -86.396
flat angles P-C4'-P energy: -37.301
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: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -908.082529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.082529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.082529 (E_RNA)
where:
Base-Base interactions energy: -552.260
where: short stacking energy: -269.612
Base-Backbone interact. energy: -0.803
local terms energy: -355.019212
where:
bonds (distance) C4'-P energy: -84.652
bonds (distance) P-C4' energy: -76.696
flat angles C4'-P-C4' energy: -77.309
flat angles P-C4'-P energy: -61.397
tors. eta vs tors. theta energy: -54.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -565.323782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.323782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.323782 (E_RNA)
where:
Base-Base interactions energy: -298.655
where: short stacking energy: -170.779
Base-Backbone interact. energy: 0.331
local terms energy: -267.000363
where:
bonds (distance) C4'-P energy: -77.606
bonds (distance) P-C4' energy: -81.862
flat angles C4'-P-C4' energy: -81.610
flat angles P-C4'-P energy: -31.802
tors. eta vs tors. theta energy: 5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1817.223393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.223393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.223393 (E_RNA)
where:
Base-Base interactions energy: -1267.265
where: short stacking energy: -519.892
Base-Backbone interact. energy: -3.450
local terms energy: -546.508422
where:
bonds (distance) C4'-P energy: -106.924
bonds (distance) P-C4' energy: -110.569
flat angles C4'-P-C4' energy: -112.732
flat angles P-C4'-P energy: -72.057
tors. eta vs tors. theta energy: -144.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1805.551361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.551361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.551361 (E_RNA)
where:
Base-Base interactions energy: -1251.546
where: short stacking energy: -524.273
Base-Backbone interact. energy: -1.458
local terms energy: -552.546656
where:
bonds (distance) C4'-P energy: -89.864
bonds (distance) P-C4' energy: -107.445
flat angles C4'-P-C4' energy: -120.194
flat angles P-C4'-P energy: -92.070
tors. eta vs tors. theta energy: -142.973
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: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1677.610938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.610938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.610938 (E_RNA)
where:
Base-Base interactions energy: -1189.781
where: short stacking energy: -486.176
Base-Backbone interact. energy: 2.501
local terms energy: -490.330839
where:
bonds (distance) C4'-P energy: -84.753
bonds (distance) P-C4' energy: -94.318
flat angles C4'-P-C4' energy: -105.414
flat angles P-C4'-P energy: -64.389
tors. eta vs tors. theta energy: -141.457
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: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1652.094502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.094502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.094502 (E_RNA)
where:
Base-Base interactions energy: -1168.912
where: short stacking energy: -476.446
Base-Backbone interact. energy: 2.863
local terms energy: -486.045160
where:
bonds (distance) C4'-P energy: -80.761
bonds (distance) P-C4' energy: -92.737
flat angles C4'-P-C4' energy: -104.515
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -129.198
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: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1531.776461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.776461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.776461 (E_RNA)
where:
Base-Base interactions energy: -1063.462
where: short stacking energy: -454.267
Base-Backbone interact. energy: -2.008
local terms energy: -466.306038
where:
bonds (distance) C4'-P energy: -91.463
bonds (distance) P-C4' energy: -83.259
flat angles C4'-P-C4' energy: -102.404
flat angles P-C4'-P energy: -55.598
tors. eta vs tors. theta energy: -133.583
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: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1498.454727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.454727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.454727 (E_RNA)
where:
Base-Base interactions energy: -1012.283
where: short stacking energy: -450.321
Base-Backbone interact. energy: -2.629
local terms energy: -483.542591
where:
bonds (distance) C4'-P energy: -85.294
bonds (distance) P-C4' energy: -104.475
flat angles C4'-P-C4' energy: -93.346
flat angles P-C4'-P energy: -80.636
tors. eta vs tors. theta energy: -119.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1432.251197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.251197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.251197 (E_RNA)
where:
Base-Base interactions energy: -1040.086
where: short stacking energy: -421.137
Base-Backbone interact. energy: 0.664
local terms energy: -392.829186
where:
bonds (distance) C4'-P energy: -83.770
bonds (distance) P-C4' energy: -75.667
flat angles C4'-P-C4' energy: -90.688
flat angles P-C4'-P energy: -51.027
tors. eta vs tors. theta energy: -91.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1115.009780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.009780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.009780 (E_RNA)
where:
Base-Base interactions energy: -741.692
where: short stacking energy: -314.776
Base-Backbone interact. energy: -1.615
local terms energy: -371.702834
where:
bonds (distance) C4'-P energy: -85.125
bonds (distance) P-C4' energy: -81.034
flat angles C4'-P-C4' energy: -98.886
flat angles P-C4'-P energy: -44.004
tors. eta vs tors. theta energy: -62.654
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: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -861.669179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.669179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.669179 (E_RNA)
where:
Base-Base interactions energy: -529.108
where: short stacking energy: -254.763
Base-Backbone interact. energy: -0.122
local terms energy: -332.439360
where:
bonds (distance) C4'-P energy: -83.925
bonds (distance) P-C4' energy: -90.402
flat angles C4'-P-C4' energy: -85.505
flat angles P-C4'-P energy: -50.734
tors. eta vs tors. theta energy: -21.874
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: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -533.738791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.738791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.738791 (E_RNA)
where:
Base-Base interactions energy: -253.598
where: short stacking energy: -147.077
Base-Backbone interact. energy: -2.040
local terms energy: -278.100470
where:
bonds (distance) C4'-P energy: -70.983
bonds (distance) P-C4' energy: -98.287
flat angles C4'-P-C4' energy: -66.909
flat angles P-C4'-P energy: -49.000
tors. eta vs tors. theta energy: 7.079
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: 396
Temperature: 0.900000
Total energy: -1822.331066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.331066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.331066 (E_RNA)
where:
Base-Base interactions energy: -1285.551
where: short stacking energy: -515.309
Base-Backbone interact. energy: -1.329
local terms energy: -535.450521
where:
bonds (distance) C4'-P energy: -92.354
bonds (distance) P-C4' energy: -113.421
flat angles C4'-P-C4' energy: -118.592
flat angles P-C4'-P energy: -76.819
tors. eta vs tors. theta energy: -134.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1744.468105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.468105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.468105 (E_RNA)
where:
Base-Base interactions energy: -1206.634
where: short stacking energy: -510.012
Base-Backbone interact. energy: -3.074
local terms energy: -534.760912
where:
bonds (distance) C4'-P energy: -106.980
bonds (distance) P-C4' energy: -93.408
flat angles C4'-P-C4' energy: -119.799
flat angles P-C4'-P energy: -75.160
tors. eta vs tors. theta energy: -139.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1706.141768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.141768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.141768 (E_RNA)
where:
Base-Base interactions energy: -1195.331
where: short stacking energy: -493.135
Base-Backbone interact. energy: -3.892
local terms energy: -506.918052
where:
bonds (distance) C4'-P energy: -92.463
bonds (distance) P-C4' energy: -102.658
flat angles C4'-P-C4' energy: -108.874
flat angles P-C4'-P energy: -71.248
tors. eta vs tors. theta energy: -131.675
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: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1636.160284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.160284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.160284 (E_RNA)
where:
Base-Base interactions energy: -1156.225
where: short stacking energy: -468.484
Base-Backbone interact. energy: -4.049
local terms energy: -475.886161
where:
bonds (distance) C4'-P energy: -92.098
bonds (distance) P-C4' energy: -92.899
flat angles C4'-P-C4' energy: -107.149
flat angles P-C4'-P energy: -59.768
tors. eta vs tors. theta energy: -123.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1568.294318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.294318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.294318 (E_RNA)
where:
Base-Base interactions energy: -1098.436
where: short stacking energy: -431.471
Base-Backbone interact. energy: -2.028
local terms energy: -467.829560
where:
bonds (distance) C4'-P energy: -90.161
bonds (distance) P-C4' energy: -96.738
flat angles C4'-P-C4' energy: -107.300
flat angles P-C4'-P energy: -65.393
tors. eta vs tors. theta energy: -108.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1419.438101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.438101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.438101 (E_RNA)
where:
Base-Base interactions energy: -970.936
where: short stacking energy: -412.255
Base-Backbone interact. energy: 2.001
local terms energy: -450.502811
where:
bonds (distance) C4'-P energy: -86.372
bonds (distance) P-C4' energy: -96.776
flat angles C4'-P-C4' energy: -92.099
flat angles P-C4'-P energy: -69.701
tors. eta vs tors. theta energy: -105.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1385.848966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.848966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.848966 (E_RNA)
where:
Base-Base interactions energy: -961.195
where: short stacking energy: -407.829
Base-Backbone interact. energy: -0.883
local terms energy: -423.770687
where:
bonds (distance) C4'-P energy: -91.740
bonds (distance) P-C4' energy: -74.287
flat angles C4'-P-C4' energy: -94.889
flat angles P-C4'-P energy: -55.952
tors. eta vs tors. theta energy: -106.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1107.817477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.817477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.817477 (E_RNA)
where:
Base-Base interactions energy: -736.224
where: short stacking energy: -313.508
Base-Backbone interact. energy: 4.197
local terms energy: -375.790372
where:
bonds (distance) C4'-P energy: -100.466
bonds (distance) P-C4' energy: -68.630
flat angles C4'-P-C4' energy: -98.483
flat angles P-C4'-P energy: -39.901
tors. eta vs tors. theta energy: -68.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -869.611338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.611338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.611338 (E_RNA)
where:
Base-Base interactions energy: -525.249
where: short stacking energy: -246.097
Base-Backbone interact. energy: -1.882
local terms energy: -342.480256
where:
bonds (distance) C4'-P energy: -81.587
bonds (distance) P-C4' energy: -85.418
flat angles C4'-P-C4' energy: -80.580
flat angles P-C4'-P energy: -50.498
tors. eta vs tors. theta energy: -44.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -637.498006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.498006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.498006 (E_RNA)
where:
Base-Base interactions energy: -369.586
where: short stacking energy: -184.338
Base-Backbone interact. energy: 2.111
local terms energy: -270.023221
where:
bonds (distance) C4'-P energy: -80.076
bonds (distance) P-C4' energy: -77.083
flat angles C4'-P-C4' energy: -70.440
flat angles P-C4'-P energy: -31.316
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1841.719318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.719318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.719318 (E_RNA)
where:
Base-Base interactions energy: -1287.806
where: short stacking energy: -511.173
Base-Backbone interact. energy: -1.441
local terms energy: -552.472587
where:
bonds (distance) C4'-P energy: -106.418
bonds (distance) P-C4' energy: -105.934
flat angles C4'-P-C4' energy: -114.852
flat angles P-C4'-P energy: -83.575
tors. eta vs tors. theta energy: -141.693
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: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1770.994403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.994403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.994403 (E_RNA)
where:
Base-Base interactions energy: -1228.929
where: short stacking energy: -498.251
Base-Backbone interact. energy: -3.815
local terms energy: -538.250723
where:
bonds (distance) C4'-P energy: -97.112
bonds (distance) P-C4' energy: -99.382
flat angles C4'-P-C4' energy: -110.717
flat angles P-C4'-P energy: -90.966
tors. eta vs tors. theta energy: -140.073
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: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1712.918035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.918035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.918035 (E_RNA)
where:
Base-Base interactions energy: -1189.077
where: short stacking energy: -494.530
Base-Backbone interact. energy: -1.013
local terms energy: -522.828386
where:
bonds (distance) C4'-P energy: -93.388
bonds (distance) P-C4' energy: -93.376
flat angles C4'-P-C4' energy: -118.639
flat angles P-C4'-P energy: -76.506
tors. eta vs tors. theta energy: -140.919
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: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1640.000022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.000022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.000022 (E_RNA)
where:
Base-Base interactions energy: -1158.933
where: short stacking energy: -465.840
Base-Backbone interact. energy: -0.433
local terms energy: -480.633571
where:
bonds (distance) C4'-P energy: -99.029
bonds (distance) P-C4' energy: -90.721
flat angles C4'-P-C4' energy: -102.880
flat angles P-C4'-P energy: -71.877
tors. eta vs tors. theta energy: -116.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1575.412895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.412895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.412895 (E_RNA)
where:
Base-Base interactions energy: -1108.470
where: short stacking energy: -453.862
Base-Backbone interact. energy: -0.740
local terms energy: -466.203158
where:
bonds (distance) C4'-P energy: -80.320
bonds (distance) P-C4' energy: -98.028
flat angles C4'-P-C4' energy: -98.963
flat angles P-C4'-P energy: -67.450
tors. eta vs tors. theta energy: -121.442
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: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1424.334905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.334905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.334905 (E_RNA)
where:
Base-Base interactions energy: -982.617
where: short stacking energy: -399.709
Base-Backbone interact. energy: -1.760
local terms energy: -439.957850
where:
bonds (distance) C4'-P energy: -82.300
bonds (distance) P-C4' energy: -96.610
flat angles C4'-P-C4' energy: -102.845
flat angles P-C4'-P energy: -63.960
tors. eta vs tors. theta energy: -94.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1332.977637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.977637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.977637 (E_RNA)
where:
Base-Base interactions energy: -902.579
where: short stacking energy: -392.686
Base-Backbone interact. energy: 1.822
local terms energy: -432.221357
where:
bonds (distance) C4'-P energy: -85.945
bonds (distance) P-C4' energy: -101.773
flat angles C4'-P-C4' energy: -94.995
flat angles P-C4'-P energy: -59.441
tors. eta vs tors. theta energy: -90.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1080.872665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.872665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.872665 (E_RNA)
where:
Base-Base interactions energy: -698.693
where: short stacking energy: -298.307
Base-Backbone interact. energy: 3.235
local terms energy: -385.414408
where:
bonds (distance) C4'-P energy: -87.094
bonds (distance) P-C4' energy: -93.004
flat angles C4'-P-C4' energy: -91.411
flat angles P-C4'-P energy: -59.610
tors. eta vs tors. theta energy: -54.296
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: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -848.647178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.647178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.647178 (E_RNA)
where:
Base-Base interactions energy: -515.973
where: short stacking energy: -220.421
Base-Backbone interact. energy: -0.938
local terms energy: -331.736357
where:
bonds (distance) C4'-P energy: -87.183
bonds (distance) P-C4' energy: -84.379
flat angles C4'-P-C4' energy: -72.908
flat angles P-C4'-P energy: -56.388
tors. eta vs tors. theta energy: -30.879
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: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -661.604837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.604837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.604837 (E_RNA)
where:
Base-Base interactions energy: -375.728
where: short stacking energy: -194.146
Base-Backbone interact. energy: -0.348
local terms energy: -285.528769
where:
bonds (distance) C4'-P energy: -68.444
bonds (distance) P-C4' energy: -73.818
flat angles C4'-P-C4' energy: -86.710
flat angles P-C4'-P energy: -47.928
tors. eta vs tors. theta energy: -8.628
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: 398
Temperature: 0.900000
Total energy: -1822.686471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.686471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.686471 (E_RNA)
where:
Base-Base interactions energy: -1279.027
where: short stacking energy: -525.665
Base-Backbone interact. energy: -1.397
local terms energy: -542.262244
where:
bonds (distance) C4'-P energy: -96.756
bonds (distance) P-C4' energy: -109.430
flat angles C4'-P-C4' energy: -119.523
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -140.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1791.862993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.862993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.862993 (E_RNA)
where:
Base-Base interactions energy: -1250.962
where: short stacking energy: -530.407
Base-Backbone interact. energy: -5.687
local terms energy: -535.213490
where:
bonds (distance) C4'-P energy: -94.080
bonds (distance) P-C4' energy: -96.924
flat angles C4'-P-C4' energy: -112.830
flat angles P-C4'-P energy: -79.079
tors. eta vs tors. theta energy: -152.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1702.814592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.814592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.814592 (E_RNA)
where:
Base-Base interactions energy: -1185.018
where: short stacking energy: -488.582
Base-Backbone interact. energy: -2.158
local terms energy: -515.638727
where:
bonds (distance) C4'-P energy: -96.048
bonds (distance) P-C4' energy: -92.700
flat angles C4'-P-C4' energy: -115.581
flat angles P-C4'-P energy: -77.500
tors. eta vs tors. theta energy: -133.809
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: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1639.898513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.898513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.898513 (E_RNA)
where:
Base-Base interactions energy: -1160.070
where: short stacking energy: -471.126
Base-Backbone interact. energy: -3.109
local terms energy: -476.719442
where:
bonds (distance) C4'-P energy: -96.223
bonds (distance) P-C4' energy: -90.795
flat angles C4'-P-C4' energy: -97.031
flat angles P-C4'-P energy: -68.287
tors. eta vs tors. theta energy: -124.384
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: 398
Temperature: 1.100000
Total energy: -1568.406335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.406335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.406335 (E_RNA)
where:
Base-Base interactions energy: -1072.878
where: short stacking energy: -463.954
Base-Backbone interact. energy: -0.873
local terms energy: -494.656080
where:
bonds (distance) C4'-P energy: -89.479
bonds (distance) P-C4' energy: -92.147
flat angles C4'-P-C4' energy: -109.232
flat angles P-C4'-P energy: -71.686
tors. eta vs tors. theta energy: -132.112
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: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1433.832727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.832727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.832727 (E_RNA)
where:
Base-Base interactions energy: -1011.659
where: short stacking energy: -406.745
Base-Backbone interact. energy: -0.926
local terms energy: -421.247846
where:
bonds (distance) C4'-P energy: -79.711
bonds (distance) P-C4' energy: -91.785
flat angles C4'-P-C4' energy: -88.248
flat angles P-C4'-P energy: -62.454
tors. eta vs tors. theta energy: -99.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1304.031696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.031696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.031696 (E_RNA)
where:
Base-Base interactions energy: -886.860
where: short stacking energy: -411.541
Base-Backbone interact. energy: -0.194
local terms energy: -416.977162
where:
bonds (distance) C4'-P energy: -90.453
bonds (distance) P-C4' energy: -73.893
flat angles C4'-P-C4' energy: -87.574
flat angles P-C4'-P energy: -70.540
tors. eta vs tors. theta energy: -94.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1095.519107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.519107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.519107 (E_RNA)
where:
Base-Base interactions energy: -713.048
where: short stacking energy: -328.305
Base-Backbone interact. energy: 3.104
local terms energy: -385.574713
where:
bonds (distance) C4'-P energy: -91.509
bonds (distance) P-C4' energy: -77.900
flat angles C4'-P-C4' energy: -86.988
flat angles P-C4'-P energy: -63.299
tors. eta vs tors. theta energy: -65.878
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: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -847.597756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.597756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.597756 (E_RNA)
where:
Base-Base interactions energy: -532.908
where: short stacking energy: -244.753
Base-Backbone interact. energy: 5.640
local terms energy: -320.329852
where:
bonds (distance) C4'-P energy: -71.290
bonds (distance) P-C4' energy: -74.218
flat angles C4'-P-C4' energy: -84.564
flat angles P-C4'-P energy: -57.215
tors. eta vs tors. theta energy: -33.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -674.865573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.865573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.865573 (E_RNA)
where:
Base-Base interactions energy: -385.124
where: short stacking energy: -204.686
Base-Backbone interact. energy: -0.722
local terms energy: -289.019144
where:
bonds (distance) C4'-P energy: -76.901
bonds (distance) P-C4' energy: -91.660
flat angles C4'-P-C4' energy: -75.410
flat angles P-C4'-P energy: -39.830
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1809.737928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.737928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.737928 (E_RNA)
where:
Base-Base interactions energy: -1278.979
where: short stacking energy: -518.902
Base-Backbone interact. energy: -3.535
local terms energy: -527.224524
where:
bonds (distance) C4'-P energy: -95.884
bonds (distance) P-C4' energy: -114.048
flat angles C4'-P-C4' energy: -112.437
flat angles P-C4'-P energy: -63.618
tors. eta vs tors. theta energy: -141.238
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: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1774.449271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.449271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.449271 (E_RNA)
where:
Base-Base interactions energy: -1231.331
where: short stacking energy: -520.868
Base-Backbone interact. energy: -3.784
local terms energy: -539.334478
where:
bonds (distance) C4'-P energy: -98.668
bonds (distance) P-C4' energy: -103.689
flat angles C4'-P-C4' energy: -118.949
flat angles P-C4'-P energy: -65.108
tors. eta vs tors. theta energy: -152.920
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: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1690.893993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.893993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.893993 (E_RNA)
where:
Base-Base interactions energy: -1202.320
where: short stacking energy: -512.018
Base-Backbone interact. energy: -3.778
local terms energy: -484.796169
where:
bonds (distance) C4'-P energy: -101.451
bonds (distance) P-C4' energy: -78.609
flat angles C4'-P-C4' energy: -117.107
flat angles P-C4'-P energy: -55.952
tors. eta vs tors. theta energy: -131.676
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: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1641.496770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.496770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.496770 (E_RNA)
where:
Base-Base interactions energy: -1134.820
where: short stacking energy: -472.747
Base-Backbone interact. energy: -2.136
local terms energy: -504.540631
where:
bonds (distance) C4'-P energy: -90.441
bonds (distance) P-C4' energy: -96.415
flat angles C4'-P-C4' energy: -106.007
flat angles P-C4'-P energy: -78.652
tors. eta vs tors. theta energy: -133.025
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: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1615.670510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.670510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.670510 (E_RNA)
where:
Base-Base interactions energy: -1157.389
where: short stacking energy: -442.677
Base-Backbone interact. energy: 3.326
local terms energy: -461.607655
where:
bonds (distance) C4'-P energy: -73.919
bonds (distance) P-C4' energy: -92.934
flat angles C4'-P-C4' energy: -110.116
flat angles P-C4'-P energy: -75.535
tors. eta vs tors. theta energy: -109.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1443.503930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.503930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.503930 (E_RNA)
where:
Base-Base interactions energy: -997.456
where: short stacking energy: -414.138
Base-Backbone interact. energy: -0.164
local terms energy: -445.884126
where:
bonds (distance) C4'-P energy: -92.802
bonds (distance) P-C4' energy: -94.465
flat angles C4'-P-C4' energy: -95.920
flat angles P-C4'-P energy: -67.793
tors. eta vs tors. theta energy: -94.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1302.570760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.570760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.570760 (E_RNA)
where:
Base-Base interactions energy: -865.902
where: short stacking energy: -390.032
Base-Backbone interact. energy: -3.036
local terms energy: -433.632808
where:
bonds (distance) C4'-P energy: -86.271
bonds (distance) P-C4' energy: -100.056
flat angles C4'-P-C4' energy: -88.194
flat angles P-C4'-P energy: -53.501
tors. eta vs tors. theta energy: -105.611
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: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1118.167385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.167385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.167385 (E_RNA)
where:
Base-Base interactions energy: -720.359
where: short stacking energy: -302.672
Base-Backbone interact. energy: -3.731
local terms energy: -394.077808
where:
bonds (distance) C4'-P energy: -98.207
bonds (distance) P-C4' energy: -87.106
flat angles C4'-P-C4' energy: -95.422
flat angles P-C4'-P energy: -51.255
tors. eta vs tors. theta energy: -62.087
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: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -864.500144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.500144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.500144 (E_RNA)
where:
Base-Base interactions energy: -543.358
where: short stacking energy: -238.010
Base-Backbone interact. energy: 4.962
local terms energy: -326.104626
where:
bonds (distance) C4'-P energy: -74.164
bonds (distance) P-C4' energy: -91.280
flat angles C4'-P-C4' energy: -82.477
flat angles P-C4'-P energy: -49.752
tors. eta vs tors. theta energy: -28.431
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: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -659.241344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.241344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.241344 (E_RNA)
where:
Base-Base interactions energy: -356.832
where: short stacking energy: -172.647
Base-Backbone interact. energy: -1.186
local terms energy: -301.223217
where:
bonds (distance) C4'-P energy: -90.765
bonds (distance) P-C4' energy: -88.198
flat angles C4'-P-C4' energy: -64.494
flat angles P-C4'-P energy: -51.189
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1815.061095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.061095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.061095 (E_RNA)
where:
Base-Base interactions energy: -1263.042
where: short stacking energy: -507.436
Base-Backbone interact. energy: -3.326
local terms energy: -548.693589
where:
bonds (distance) C4'-P energy: -99.834
bonds (distance) P-C4' energy: -105.285
flat angles C4'-P-C4' energy: -113.806
flat angles P-C4'-P energy: -84.472
tors. eta vs tors. theta energy: -145.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1797.347277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.347277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.347277 (E_RNA)
where:
Base-Base interactions energy: -1269.602
where: short stacking energy: -531.258
Base-Backbone interact. energy: -3.518
local terms energy: -524.227947
where:
bonds (distance) C4'-P energy: -97.033
bonds (distance) P-C4' energy: -96.922
flat angles C4'-P-C4' energy: -110.410
flat angles P-C4'-P energy: -68.122
tors. eta vs tors. theta energy: -151.741
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: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1671.272115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.272115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.272115 (E_RNA)
where:
Base-Base interactions energy: -1199.240
where: short stacking energy: -488.069
Base-Backbone interact. energy: -3.111
local terms energy: -468.921805
where:
bonds (distance) C4'-P energy: -91.171
bonds (distance) P-C4' energy: -83.577
flat angles C4'-P-C4' energy: -102.897
flat angles P-C4'-P energy: -69.200
tors. eta vs tors. theta energy: -122.078
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: 400
Temperature: 1.050000
Total energy: -1628.746844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.746844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.746844 (E_RNA)
where:
Base-Base interactions energy: -1112.050
where: short stacking energy: -481.893
Base-Backbone interact. energy: -2.471
local terms energy: -514.225348
where:
bonds (distance) C4'-P energy: -89.099
bonds (distance) P-C4' energy: -93.162
flat angles C4'-P-C4' energy: -109.925
flat angles P-C4'-P energy: -74.640
tors. eta vs tors. theta energy: -147.398
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: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1609.764236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.764236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.764236 (E_RNA)
where:
Base-Base interactions energy: -1168.170
where: short stacking energy: -449.113
Base-Backbone interact. energy: 0.796
local terms energy: -442.390513
where:
bonds (distance) C4'-P energy: -83.396
bonds (distance) P-C4' energy: -75.023
flat angles C4'-P-C4' energy: -106.835
flat angles P-C4'-P energy: -62.999
tors. eta vs tors. theta energy: -114.139
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: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1468.245293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.245293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.245293 (E_RNA)
where:
Base-Base interactions energy: -1014.115
where: short stacking energy: -439.635
Base-Backbone interact. energy: -1.347
local terms energy: -452.782960
where:
bonds (distance) C4'-P energy: -88.109
bonds (distance) P-C4' energy: -90.670
flat angles C4'-P-C4' energy: -94.831
flat angles P-C4'-P energy: -72.238
tors. eta vs tors. theta energy: -106.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1290.031724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.031724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.031724 (E_RNA)
where:
Base-Base interactions energy: -861.832
where: short stacking energy: -363.006
Base-Backbone interact. energy: 0.195
local terms energy: -428.394332
where:
bonds (distance) C4'-P energy: -96.775
bonds (distance) P-C4' energy: -76.014
flat angles C4'-P-C4' energy: -95.149
flat angles P-C4'-P energy: -69.474
tors. eta vs tors. theta energy: -90.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1105.947181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.947181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.947181 (E_RNA)
where:
Base-Base interactions energy: -726.904
where: short stacking energy: -293.913
Base-Backbone interact. energy: -0.050
local terms energy: -378.993956
where:
bonds (distance) C4'-P energy: -97.563
bonds (distance) P-C4' energy: -80.089
flat angles C4'-P-C4' energy: -85.277
flat angles P-C4'-P energy: -53.557
tors. eta vs tors. theta energy: -62.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -859.838005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.838005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.838005 (E_RNA)
where:
Base-Base interactions energy: -534.845
where: short stacking energy: -247.994
Base-Backbone interact. energy: 1.657
local terms energy: -326.649890
where:
bonds (distance) C4'-P energy: -80.495
bonds (distance) P-C4' energy: -89.126
flat angles C4'-P-C4' energy: -84.191
flat angles P-C4'-P energy: -37.820
tors. eta vs tors. theta energy: -35.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -693.054952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.054952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.054952 (E_RNA)
where:
Base-Base interactions energy: -395.690
where: short stacking energy: -204.663
Base-Backbone interact. energy: -3.230
local terms energy: -294.135215
where:
bonds (distance) C4'-P energy: -80.242
bonds (distance) P-C4' energy: -79.855
flat angles C4'-P-C4' energy: -93.145
flat angles P-C4'-P energy: -37.390
tors. eta vs tors. theta energy: -3.503
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: 401
Temperature: 0.900000
Total energy: -1830.809912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.809912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.809912 (E_RNA)
where:
Base-Base interactions energy: -1283.397
where: short stacking energy: -534.259
Base-Backbone interact. energy: -4.379
local terms energy: -543.034706
where:
bonds (distance) C4'-P energy: -105.781
bonds (distance) P-C4' energy: -97.433
flat angles C4'-P-C4' energy: -122.240
flat angles P-C4'-P energy: -72.805
tors. eta vs tors. theta energy: -144.775
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: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1808.575218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.575218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.575218 (E_RNA)
where:
Base-Base interactions energy: -1288.988
where: short stacking energy: -538.789
Base-Backbone interact. energy: -2.100
local terms energy: -517.487388
where:
bonds (distance) C4'-P energy: -88.905
bonds (distance) P-C4' energy: -94.298
flat angles C4'-P-C4' energy: -101.843
flat angles P-C4'-P energy: -74.667
tors. eta vs tors. theta energy: -157.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1684.831340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.831340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.831340 (E_RNA)
where:
Base-Base interactions energy: -1194.704
where: short stacking energy: -477.242
Base-Backbone interact. energy: 0.562
local terms energy: -490.689318
where:
bonds (distance) C4'-P energy: -85.789
bonds (distance) P-C4' energy: -104.454
flat angles C4'-P-C4' energy: -97.123
flat angles P-C4'-P energy: -62.773
tors. eta vs tors. theta energy: -140.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1666.303977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.303977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.303977 (E_RNA)
where:
Base-Base interactions energy: -1206.612
where: short stacking energy: -459.159
Base-Backbone interact. energy: 3.060
local terms energy: -462.751426
where:
bonds (distance) C4'-P energy: -87.913
bonds (distance) P-C4' energy: -93.691
flat angles C4'-P-C4' energy: -98.219
flat angles P-C4'-P energy: -60.025
tors. eta vs tors. theta energy: -122.904
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: 401
Temperature: 1.100000
Total energy: -1570.618721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.618721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.618721 (E_RNA)
where:
Base-Base interactions energy: -1082.399
where: short stacking energy: -464.420
Base-Backbone interact. energy: -1.125
local terms energy: -487.095497
where:
bonds (distance) C4'-P energy: -86.175
bonds (distance) P-C4' energy: -91.610
flat angles C4'-P-C4' energy: -107.285
flat angles P-C4'-P energy: -67.030
tors. eta vs tors. theta energy: -134.995
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: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1497.244020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.244020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.244020 (E_RNA)
where:
Base-Base interactions energy: -1049.254
where: short stacking energy: -433.431
Base-Backbone interact. energy: -1.373
local terms energy: -446.616806
where:
bonds (distance) C4'-P energy: -94.054
bonds (distance) P-C4' energy: -98.963
flat angles C4'-P-C4' energy: -86.103
flat angles P-C4'-P energy: -58.742
tors. eta vs tors. theta energy: -108.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1284.507159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.507159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.507159 (E_RNA)
where:
Base-Base interactions energy: -864.070
where: short stacking energy: -386.952
Base-Backbone interact. energy: -0.773
local terms energy: -419.664433
where:
bonds (distance) C4'-P energy: -86.961
bonds (distance) P-C4' energy: -84.946
flat angles C4'-P-C4' energy: -96.792
flat angles P-C4'-P energy: -70.791
tors. eta vs tors. theta energy: -80.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1112.129775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.129775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.129775 (E_RNA)
where:
Base-Base interactions energy: -728.106
where: short stacking energy: -338.436
Base-Backbone interact. energy: -1.519
local terms energy: -382.504413
where:
bonds (distance) C4'-P energy: -73.203
bonds (distance) P-C4' energy: -91.626
flat angles C4'-P-C4' energy: -90.392
flat angles P-C4'-P energy: -58.108
tors. eta vs tors. theta energy: -69.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -912.458343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.458343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.458343 (E_RNA)
where:
Base-Base interactions energy: -579.885
where: short stacking energy: -270.904
Base-Backbone interact. energy: -0.817
local terms energy: -331.756904
where:
bonds (distance) C4'-P energy: -62.869
bonds (distance) P-C4' energy: -92.646
flat angles C4'-P-C4' energy: -86.765
flat angles P-C4'-P energy: -50.065
tors. eta vs tors. theta energy: -39.411
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: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -686.680166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.680166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.680166 (E_RNA)
where:
Base-Base interactions energy: -404.042
where: short stacking energy: -209.173
Base-Backbone interact. energy: 6.552
local terms energy: -289.189863
where:
bonds (distance) C4'-P energy: -74.394
bonds (distance) P-C4' energy: -76.950
flat angles C4'-P-C4' energy: -83.584
flat angles P-C4'-P energy: -42.276
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1832.858004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.858004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.858004 (E_RNA)
where:
Base-Base interactions energy: -1293.111
where: short stacking energy: -537.651
Base-Backbone interact. energy: -1.728
local terms energy: -538.019025
where:
bonds (distance) C4'-P energy: -92.584
bonds (distance) P-C4' energy: -110.129
flat angles C4'-P-C4' energy: -111.445
flat angles P-C4'-P energy: -79.564
tors. eta vs tors. theta energy: -144.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1787.137301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.137301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.137301 (E_RNA)
where:
Base-Base interactions energy: -1263.018
where: short stacking energy: -529.329
Base-Backbone interact. energy: 0.012
local terms energy: -524.131336
where:
bonds (distance) C4'-P energy: -91.260
bonds (distance) P-C4' energy: -103.060
flat angles C4'-P-C4' energy: -106.151
flat angles P-C4'-P energy: -77.064
tors. eta vs tors. theta energy: -146.597
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: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1702.351718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.351718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.351718 (E_RNA)
where:
Base-Base interactions energy: -1223.850
where: short stacking energy: -467.256
Base-Backbone interact. energy: -3.408
local terms energy: -475.093768
where:
bonds (distance) C4'-P energy: -84.921
bonds (distance) P-C4' energy: -92.368
flat angles C4'-P-C4' energy: -100.991
flat angles P-C4'-P energy: -76.322
tors. eta vs tors. theta energy: -120.491
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: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1662.760144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.760144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.760144 (E_RNA)
where:
Base-Base interactions energy: -1146.904
where: short stacking energy: -473.707
Base-Backbone interact. energy: -3.208
local terms energy: -512.647523
where:
bonds (distance) C4'-P energy: -103.291
bonds (distance) P-C4' energy: -87.998
flat angles C4'-P-C4' energy: -101.048
flat angles P-C4'-P energy: -83.785
tors. eta vs tors. theta energy: -136.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1559.643279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.643279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.643279 (E_RNA)
where:
Base-Base interactions energy: -1080.906
where: short stacking energy: -471.802
Base-Backbone interact. energy: -0.148
local terms energy: -478.588600
where:
bonds (distance) C4'-P energy: -73.724
bonds (distance) P-C4' energy: -98.157
flat angles C4'-P-C4' energy: -113.020
flat angles P-C4'-P energy: -61.506
tors. eta vs tors. theta energy: -132.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1490.121011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.121011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.121011 (E_RNA)
where:
Base-Base interactions energy: -1040.787
where: short stacking energy: -428.488
Base-Backbone interact. energy: -1.176
local terms energy: -448.158397
where:
bonds (distance) C4'-P energy: -94.442
bonds (distance) P-C4' energy: -81.643
flat angles C4'-P-C4' energy: -96.298
flat angles P-C4'-P energy: -74.297
tors. eta vs tors. theta energy: -101.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1328.929340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.929340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.929340 (E_RNA)
where:
Base-Base interactions energy: -910.734
where: short stacking energy: -393.813
Base-Backbone interact. energy: -1.561
local terms energy: -416.634430
where:
bonds (distance) C4'-P energy: -87.614
bonds (distance) P-C4' energy: -89.031
flat angles C4'-P-C4' energy: -85.838
flat angles P-C4'-P energy: -53.515
tors. eta vs tors. theta energy: -100.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1129.047881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.047881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.047881 (E_RNA)
where:
Base-Base interactions energy: -760.134
where: short stacking energy: -337.747
Base-Backbone interact. energy: -1.828
local terms energy: -367.085309
where:
bonds (distance) C4'-P energy: -92.152
bonds (distance) P-C4' energy: -79.625
flat angles C4'-P-C4' energy: -87.051
flat angles P-C4'-P energy: -50.793
tors. eta vs tors. theta energy: -57.463
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: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -969.776543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.776543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.776543 (E_RNA)
where:
Base-Base interactions energy: -626.062
where: short stacking energy: -288.773
Base-Backbone interact. energy: -0.993
local terms energy: -342.721848
where:
bonds (distance) C4'-P energy: -76.863
bonds (distance) P-C4' energy: -79.055
flat angles C4'-P-C4' energy: -81.311
flat angles P-C4'-P energy: -46.761
tors. eta vs tors. theta energy: -58.732
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: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -636.667740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.667740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.667740 (E_RNA)
where:
Base-Base interactions energy: -331.637
where: short stacking energy: -182.426
Base-Backbone interact. energy: 0.667
local terms energy: -305.697587
where:
bonds (distance) C4'-P energy: -75.483
bonds (distance) P-C4' energy: -84.925
flat angles C4'-P-C4' energy: -83.644
flat angles P-C4'-P energy: -53.845
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1827.884379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.884379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.884379 (E_RNA)
where:
Base-Base interactions energy: -1292.299
where: short stacking energy: -523.091
Base-Backbone interact. energy: -4.301
local terms energy: -531.284046
where:
bonds (distance) C4'-P energy: -88.359
bonds (distance) P-C4' energy: -102.528
flat angles C4'-P-C4' energy: -122.047
flat angles P-C4'-P energy: -77.681
tors. eta vs tors. theta energy: -140.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1786.783749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.783749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.783749 (E_RNA)
where:
Base-Base interactions energy: -1253.561
where: short stacking energy: -491.252
Base-Backbone interact. energy: -1.289
local terms energy: -531.934054
where:
bonds (distance) C4'-P energy: -94.653
bonds (distance) P-C4' energy: -91.753
flat angles C4'-P-C4' energy: -126.926
flat angles P-C4'-P energy: -87.610
tors. eta vs tors. theta energy: -130.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1720.102961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.102961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.102961 (E_RNA)
where:
Base-Base interactions energy: -1200.381
where: short stacking energy: -493.957
Base-Backbone interact. energy: -1.382
local terms energy: -518.339698
where:
bonds (distance) C4'-P energy: -98.278
bonds (distance) P-C4' energy: -91.688
flat angles C4'-P-C4' energy: -108.548
flat angles P-C4'-P energy: -78.143
tors. eta vs tors. theta energy: -141.683
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: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1658.879916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.879916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.879916 (E_RNA)
where:
Base-Base interactions energy: -1172.906
where: short stacking energy: -491.884
Base-Backbone interact. energy: -2.525
local terms energy: -483.448597
where:
bonds (distance) C4'-P energy: -88.754
bonds (distance) P-C4' energy: -103.279
flat angles C4'-P-C4' energy: -101.544
flat angles P-C4'-P energy: -56.010
tors. eta vs tors. theta energy: -133.861
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: 403
Temperature: 1.100000
Total energy: -1589.530128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.530128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.530128 (E_RNA)
where:
Base-Base interactions energy: -1095.484
where: short stacking energy: -457.898
Base-Backbone interact. energy: -2.645
local terms energy: -491.401553
where:
bonds (distance) C4'-P energy: -93.736
bonds (distance) P-C4' energy: -98.263
flat angles C4'-P-C4' energy: -97.249
flat angles P-C4'-P energy: -71.903
tors. eta vs tors. theta energy: -130.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1502.568984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.568984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.568984 (E_RNA)
where:
Base-Base interactions energy: -1055.623
where: short stacking energy: -432.605
Base-Backbone interact. energy: 4.321
local terms energy: -451.267212
where:
bonds (distance) C4'-P energy: -80.082
bonds (distance) P-C4' energy: -76.369
flat angles C4'-P-C4' energy: -109.547
flat angles P-C4'-P energy: -76.228
tors. eta vs tors. theta energy: -109.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1330.003216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.003216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.003216 (E_RNA)
where:
Base-Base interactions energy: -920.876
where: short stacking energy: -388.802
Base-Backbone interact. energy: -0.476
local terms energy: -408.650724
where:
bonds (distance) C4'-P energy: -70.465
bonds (distance) P-C4' energy: -90.334
flat angles C4'-P-C4' energy: -96.406
flat angles P-C4'-P energy: -63.412
tors. eta vs tors. theta energy: -88.034
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: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1130.045379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.045379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.045379 (E_RNA)
where:
Base-Base interactions energy: -767.315
where: short stacking energy: -317.600
Base-Backbone interact. energy: -2.551
local terms energy: -360.179580
where:
bonds (distance) C4'-P energy: -85.719
bonds (distance) P-C4' energy: -70.969
flat angles C4'-P-C4' energy: -82.917
flat angles P-C4'-P energy: -63.805
tors. eta vs tors. theta energy: -56.769
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: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -947.963547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.963547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.963547 (E_RNA)
where:
Base-Base interactions energy: -589.911
where: short stacking energy: -279.385
Base-Backbone interact. energy: -0.486
local terms energy: -357.566360
where:
bonds (distance) C4'-P energy: -97.771
bonds (distance) P-C4' energy: -68.311
flat angles C4'-P-C4' energy: -80.503
flat angles P-C4'-P energy: -52.377
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: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -638.937445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.937445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.937445 (E_RNA)
where:
Base-Base interactions energy: -325.581
where: short stacking energy: -171.173
Base-Backbone interact. energy: 0.228
local terms energy: -313.583993
where:
bonds (distance) C4'-P energy: -90.488
bonds (distance) P-C4' energy: -89.488
flat angles C4'-P-C4' energy: -88.705
flat angles P-C4'-P energy: -38.059
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1832.594060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.594060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.594060 (E_RNA)
where:
Base-Base interactions energy: -1283.612
where: short stacking energy: -512.177
Base-Backbone interact. energy: -3.829
local terms energy: -545.152817
where:
bonds (distance) C4'-P energy: -109.080
bonds (distance) P-C4' energy: -104.760
flat angles C4'-P-C4' energy: -116.881
flat angles P-C4'-P energy: -82.438
tors. eta vs tors. theta energy: -131.994
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: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1784.670392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.670392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.670392 (E_RNA)
where:
Base-Base interactions energy: -1251.607
where: short stacking energy: -517.693
Base-Backbone interact. energy: -2.577
local terms energy: -530.486376
where:
bonds (distance) C4'-P energy: -101.611
bonds (distance) P-C4' energy: -97.113
flat angles C4'-P-C4' energy: -111.827
flat angles P-C4'-P energy: -68.068
tors. eta vs tors. theta energy: -151.866
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: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1696.499208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.499208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.499208 (E_RNA)
where:
Base-Base interactions energy: -1188.959
where: short stacking energy: -486.334
Base-Backbone interact. energy: -1.205
local terms energy: -506.335334
where:
bonds (distance) C4'-P energy: -89.683
bonds (distance) P-C4' energy: -102.507
flat angles C4'-P-C4' energy: -105.163
flat angles P-C4'-P energy: -75.934
tors. eta vs tors. theta energy: -133.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1664.366764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.366764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.366764 (E_RNA)
where:
Base-Base interactions energy: -1175.454
where: short stacking energy: -474.540
Base-Backbone interact. energy: -2.324
local terms energy: -486.588800
where:
bonds (distance) C4'-P energy: -93.247
bonds (distance) P-C4' energy: -92.102
flat angles C4'-P-C4' energy: -101.867
flat angles P-C4'-P energy: -66.421
tors. eta vs tors. theta energy: -132.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1599.324045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.324045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.324045 (E_RNA)
where:
Base-Base interactions energy: -1116.934
where: short stacking energy: -475.281
Base-Backbone interact. energy: -1.191
local terms energy: -481.199156
where:
bonds (distance) C4'-P energy: -85.699
bonds (distance) P-C4' energy: -100.059
flat angles C4'-P-C4' energy: -101.065
flat angles P-C4'-P energy: -66.928
tors. eta vs tors. theta energy: -127.448
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: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1484.932963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.932963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.932963 (E_RNA)
where:
Base-Base interactions energy: -1059.930
where: short stacking energy: -404.668
Base-Backbone interact. energy: 0.987
local terms energy: -425.989174
where:
bonds (distance) C4'-P energy: -89.784
bonds (distance) P-C4' energy: -68.211
flat angles C4'-P-C4' energy: -97.546
flat angles P-C4'-P energy: -64.294
tors. eta vs tors. theta energy: -106.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1352.785462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.785462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.785462 (E_RNA)
where:
Base-Base interactions energy: -921.178
where: short stacking energy: -370.690
Base-Backbone interact. energy: 0.962
local terms energy: -432.570014
where:
bonds (distance) C4'-P energy: -87.573
bonds (distance) P-C4' energy: -98.593
flat angles C4'-P-C4' energy: -103.815
flat angles P-C4'-P energy: -50.523
tors. eta vs tors. theta energy: -92.066
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: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1181.625334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.625334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.625334 (E_RNA)
where:
Base-Base interactions energy: -794.256
where: short stacking energy: -339.752
Base-Backbone interact. energy: -2.475
local terms energy: -384.894286
where:
bonds (distance) C4'-P energy: -83.467
bonds (distance) P-C4' energy: -84.246
flat angles C4'-P-C4' energy: -89.858
flat angles P-C4'-P energy: -56.776
tors. eta vs tors. theta energy: -70.547
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: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -913.010420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.010420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.010420 (E_RNA)
where:
Base-Base interactions energy: -600.468
where: short stacking energy: -273.522
Base-Backbone interact. energy: -2.310
local terms energy: -310.232617
where:
bonds (distance) C4'-P energy: -83.788
bonds (distance) P-C4' energy: -78.964
flat angles C4'-P-C4' energy: -71.562
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -34.022
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: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -625.711772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.711772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.711772 (E_RNA)
where:
Base-Base interactions energy: -335.383
where: short stacking energy: -161.359
Base-Backbone interact. energy: -0.550
local terms energy: -289.779651
where:
bonds (distance) C4'-P energy: -60.525
bonds (distance) P-C4' energy: -84.117
flat angles C4'-P-C4' energy: -79.829
flat angles P-C4'-P energy: -58.569
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1834.192836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.192836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.192836 (E_RNA)
where:
Base-Base interactions energy: -1306.344
where: short stacking energy: -501.345
Base-Backbone interact. energy: -5.155
local terms energy: -522.693629
where:
bonds (distance) C4'-P energy: -105.272
bonds (distance) P-C4' energy: -91.960
flat angles C4'-P-C4' energy: -109.347
flat angles P-C4'-P energy: -82.200
tors. eta vs tors. theta energy: -133.915
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: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1753.093671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.093671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.093671 (E_RNA)
where:
Base-Base interactions energy: -1235.987
where: short stacking energy: -526.398
Base-Backbone interact. energy: -3.008
local terms energy: -514.099062
where:
bonds (distance) C4'-P energy: -102.552
bonds (distance) P-C4' energy: -90.882
flat angles C4'-P-C4' energy: -113.322
flat angles P-C4'-P energy: -62.204
tors. eta vs tors. theta energy: -145.141
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: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1683.608724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.608724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.608724 (E_RNA)
where:
Base-Base interactions energy: -1210.559
where: short stacking energy: -495.191
Base-Backbone interact. energy: 6.268
local terms energy: -479.317873
where:
bonds (distance) C4'-P energy: -97.139
bonds (distance) P-C4' energy: -88.802
flat angles C4'-P-C4' energy: -106.171
flat angles P-C4'-P energy: -58.790
tors. eta vs tors. theta energy: -128.416
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: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1674.526926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.526926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.526926 (E_RNA)
where:
Base-Base interactions energy: -1177.840
where: short stacking energy: -475.013
Base-Backbone interact. energy: -1.419
local terms energy: -495.267832
where:
bonds (distance) C4'-P energy: -90.671
bonds (distance) P-C4' energy: -90.590
flat angles C4'-P-C4' energy: -110.099
flat angles P-C4'-P energy: -79.704
tors. eta vs tors. theta energy: -124.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1583.835897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.835897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.835897 (E_RNA)
where:
Base-Base interactions energy: -1099.407
where: short stacking energy: -472.595
Base-Backbone interact. energy: -6.364
local terms energy: -478.064946
where:
bonds (distance) C4'-P energy: -92.205
bonds (distance) P-C4' energy: -86.202
flat angles C4'-P-C4' energy: -102.327
flat angles P-C4'-P energy: -68.474
tors. eta vs tors. theta energy: -128.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1500.453858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.453858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.453858 (E_RNA)
where:
Base-Base interactions energy: -1027.686
where: short stacking energy: -424.467
Base-Backbone interact. energy: -3.346
local terms energy: -469.421485
where:
bonds (distance) C4'-P energy: -94.779
bonds (distance) P-C4' energy: -100.310
flat angles C4'-P-C4' energy: -98.694
flat angles P-C4'-P energy: -65.394
tors. eta vs tors. theta energy: -110.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1316.580203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.580203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.580203 (E_RNA)
where:
Base-Base interactions energy: -896.103
where: short stacking energy: -381.679
Base-Backbone interact. energy: 2.575
local terms energy: -423.052116
where:
bonds (distance) C4'-P energy: -85.356
bonds (distance) P-C4' energy: -98.575
flat angles C4'-P-C4' energy: -91.652
flat angles P-C4'-P energy: -50.258
tors. eta vs tors. theta energy: -97.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1186.330262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.330262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.330262 (E_RNA)
where:
Base-Base interactions energy: -783.773
where: short stacking energy: -354.642
Base-Backbone interact. energy: 3.057
local terms energy: -405.613649
where:
bonds (distance) C4'-P energy: -86.492
bonds (distance) P-C4' energy: -85.849
flat angles C4'-P-C4' energy: -90.690
flat angles P-C4'-P energy: -59.617
tors. eta vs tors. theta energy: -82.966
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: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -916.541430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.541430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.541430 (E_RNA)
where:
Base-Base interactions energy: -576.835
where: short stacking energy: -284.392
Base-Backbone interact. energy: 0.316
local terms energy: -340.022641
where:
bonds (distance) C4'-P energy: -75.257
bonds (distance) P-C4' energy: -79.688
flat angles C4'-P-C4' energy: -95.476
flat angles P-C4'-P energy: -43.580
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: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -615.579644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.579644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.579644 (E_RNA)
where:
Base-Base interactions energy: -331.372
where: short stacking energy: -174.142
Base-Backbone interact. energy: 1.383
local terms energy: -285.590698
where:
bonds (distance) C4'-P energy: -90.302
bonds (distance) P-C4' energy: -89.826
flat angles C4'-P-C4' energy: -57.751
flat angles P-C4'-P energy: -52.841
tors. eta vs tors. theta energy: 5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1819.365755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.365755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.365755 (E_RNA)
where:
Base-Base interactions energy: -1281.086
where: short stacking energy: -523.317
Base-Backbone interact. energy: 4.241
local terms energy: -542.520629
where:
bonds (distance) C4'-P energy: -102.885
bonds (distance) P-C4' energy: -111.851
flat angles C4'-P-C4' energy: -121.519
flat angles P-C4'-P energy: -69.798
tors. eta vs tors. theta energy: -136.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1773.565111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.565111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.565111 (E_RNA)
where:
Base-Base interactions energy: -1234.012
where: short stacking energy: -500.080
Base-Backbone interact. energy: -0.915
local terms energy: -538.638048
where:
bonds (distance) C4'-P energy: -100.415
bonds (distance) P-C4' energy: -100.334
flat angles C4'-P-C4' energy: -119.294
flat angles P-C4'-P energy: -71.515
tors. eta vs tors. theta energy: -147.081
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: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1680.764623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.764623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.764623 (E_RNA)
where:
Base-Base interactions energy: -1171.877
where: short stacking energy: -471.307
Base-Backbone interact. energy: -1.252
local terms energy: -507.634766
where:
bonds (distance) C4'-P energy: -95.995
bonds (distance) P-C4' energy: -97.861
flat angles C4'-P-C4' energy: -114.895
flat angles P-C4'-P energy: -72.922
tors. eta vs tors. theta energy: -125.961
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: 406
Temperature: 1.050000
Total energy: -1626.470056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.470056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.470056 (E_RNA)
where:
Base-Base interactions energy: -1144.330
where: short stacking energy: -458.165
Base-Backbone interact. energy: -0.671
local terms energy: -481.469085
where:
bonds (distance) C4'-P energy: -85.486
bonds (distance) P-C4' energy: -91.207
flat angles C4'-P-C4' energy: -100.326
flat angles P-C4'-P energy: -75.772
tors. eta vs tors. theta energy: -128.678
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: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1558.094347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.094347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.094347 (E_RNA)
where:
Base-Base interactions energy: -1091.021
where: short stacking energy: -441.417
Base-Backbone interact. energy: 2.077
local terms energy: -469.149638
where:
bonds (distance) C4'-P energy: -86.615
bonds (distance) P-C4' energy: -92.605
flat angles C4'-P-C4' energy: -105.843
flat angles P-C4'-P energy: -75.370
tors. eta vs tors. theta energy: -108.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1501.770577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.770577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.770577 (E_RNA)
where:
Base-Base interactions energy: -1041.938
where: short stacking energy: -416.365
Base-Backbone interact. energy: -3.738
local terms energy: -456.093890
where:
bonds (distance) C4'-P energy: -80.177
bonds (distance) P-C4' energy: -97.121
flat angles C4'-P-C4' energy: -93.272
flat angles P-C4'-P energy: -65.143
tors. eta vs tors. theta energy: -120.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1337.982884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.982884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.982884 (E_RNA)
where:
Base-Base interactions energy: -914.247
where: short stacking energy: -392.755
Base-Backbone interact. energy: -2.152
local terms energy: -421.584496
where:
bonds (distance) C4'-P energy: -61.729
bonds (distance) P-C4' energy: -87.535
flat angles C4'-P-C4' energy: -102.722
flat angles P-C4'-P energy: -69.536
tors. eta vs tors. theta energy: -100.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1139.712703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.712703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.712703 (E_RNA)
where:
Base-Base interactions energy: -749.983
where: short stacking energy: -303.020
Base-Backbone interact. energy: 0.656
local terms energy: -390.385577
where:
bonds (distance) C4'-P energy: -86.426
bonds (distance) P-C4' energy: -91.321
flat angles C4'-P-C4' energy: -90.795
flat angles P-C4'-P energy: -50.296
tors. eta vs tors. theta energy: -71.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -895.395238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.395238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.395238 (E_RNA)
where:
Base-Base interactions energy: -561.283
where: short stacking energy: -250.737
Base-Backbone interact. energy: 3.989
local terms energy: -338.101499
where:
bonds (distance) C4'-P energy: -85.605
bonds (distance) P-C4' energy: -83.717
flat angles C4'-P-C4' energy: -78.047
flat angles P-C4'-P energy: -45.667
tors. eta vs tors. theta energy: -45.066
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: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -656.890367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.890367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.890367 (E_RNA)
where:
Base-Base interactions energy: -356.873
where: short stacking energy: -197.267
Base-Backbone interact. energy: 2.686
local terms energy: -302.703226
where:
bonds (distance) C4'-P energy: -68.152
bonds (distance) P-C4' energy: -93.229
flat angles C4'-P-C4' energy: -72.922
flat angles P-C4'-P energy: -46.746
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1815.827354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.827354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.827354 (E_RNA)
where:
Base-Base interactions energy: -1295.284
where: short stacking energy: -501.571
Base-Backbone interact. energy: -3.823
local terms energy: -516.720369
where:
bonds (distance) C4'-P energy: -103.168
bonds (distance) P-C4' energy: -106.280
flat angles C4'-P-C4' energy: -110.331
flat angles P-C4'-P energy: -74.409
tors. eta vs tors. theta energy: -122.532
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: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1742.720070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.720070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.720070 (E_RNA)
where:
Base-Base interactions energy: -1232.182
where: short stacking energy: -494.554
Base-Backbone interact. energy: -0.265
local terms energy: -510.273033
where:
bonds (distance) C4'-P energy: -96.290
bonds (distance) P-C4' energy: -102.687
flat angles C4'-P-C4' energy: -106.725
flat angles P-C4'-P energy: -74.114
tors. eta vs tors. theta energy: -130.456
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: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1690.535305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.535305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.535305 (E_RNA)
where:
Base-Base interactions energy: -1192.589
where: short stacking energy: -486.242
Base-Backbone interact. energy: -0.576
local terms energy: -497.370022
where:
bonds (distance) C4'-P energy: -88.100
bonds (distance) P-C4' energy: -90.681
flat angles C4'-P-C4' energy: -113.153
flat angles P-C4'-P energy: -71.137
tors. eta vs tors. theta energy: -134.300
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: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1616.846984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.846984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.846984 (E_RNA)
where:
Base-Base interactions energy: -1123.965
where: short stacking energy: -442.516
Base-Backbone interact. energy: -1.886
local terms energy: -490.995881
where:
bonds (distance) C4'-P energy: -101.845
bonds (distance) P-C4' energy: -100.437
flat angles C4'-P-C4' energy: -108.670
flat angles P-C4'-P energy: -67.210
tors. eta vs tors. theta energy: -112.833
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: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1533.404943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.404943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.404943 (E_RNA)
where:
Base-Base interactions energy: -1090.513
where: short stacking energy: -455.947
Base-Backbone interact. energy: -1.535
local terms energy: -441.356851
where:
bonds (distance) C4'-P energy: -76.823
bonds (distance) P-C4' energy: -100.362
flat angles C4'-P-C4' energy: -96.876
flat angles P-C4'-P energy: -66.603
tors. eta vs tors. theta energy: -100.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1512.896324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.896324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.896324 (E_RNA)
where:
Base-Base interactions energy: -1079.724
where: short stacking energy: -426.962
Base-Backbone interact. energy: -2.961
local terms energy: -430.211493
where:
bonds (distance) C4'-P energy: -83.864
bonds (distance) P-C4' energy: -86.323
flat angles C4'-P-C4' energy: -92.282
flat angles P-C4'-P energy: -62.497
tors. eta vs tors. theta energy: -105.245
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: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1329.245119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.245119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.245119 (E_RNA)
where:
Base-Base interactions energy: -913.153
where: short stacking energy: -368.623
Base-Backbone interact. energy: -2.147
local terms energy: -413.945212
where:
bonds (distance) C4'-P energy: -89.160
bonds (distance) P-C4' energy: -90.677
flat angles C4'-P-C4' energy: -83.978
flat angles P-C4'-P energy: -66.584
tors. eta vs tors. theta energy: -83.547
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: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1135.043796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.043796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.043796 (E_RNA)
where:
Base-Base interactions energy: -740.042
where: short stacking energy: -309.806
Base-Backbone interact. energy: -0.967
local terms energy: -394.035282
where:
bonds (distance) C4'-P energy: -84.062
bonds (distance) P-C4' energy: -91.980
flat angles C4'-P-C4' energy: -83.129
flat angles P-C4'-P energy: -70.504
tors. eta vs tors. theta energy: -64.360
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: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -935.146384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.146384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.146384 (E_RNA)
where:
Base-Base interactions energy: -614.911
where: short stacking energy: -262.233
Base-Backbone interact. energy: -1.392
local terms energy: -318.843479
where:
bonds (distance) C4'-P energy: -72.602
bonds (distance) P-C4' energy: -78.161
flat angles C4'-P-C4' energy: -84.811
flat angles P-C4'-P energy: -41.850
tors. eta vs tors. theta energy: -41.420
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: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -629.360446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.360446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.360446 (E_RNA)
where:
Base-Base interactions energy: -321.983
where: short stacking energy: -159.161
Base-Backbone interact. energy: -0.529
local terms energy: -306.848192
where:
bonds (distance) C4'-P energy: -68.836
bonds (distance) P-C4' energy: -102.955
flat angles C4'-P-C4' energy: -78.326
flat angles P-C4'-P energy: -53.375
tors. eta vs tors. theta energy: -3.357
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: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1828.803674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.803674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.803674 (E_RNA)
where:
Base-Base interactions energy: -1301.329
where: short stacking energy: -512.328
Base-Backbone interact. energy: -3.285
local terms energy: -524.189706
where:
bonds (distance) C4'-P energy: -91.878
bonds (distance) P-C4' energy: -104.832
flat angles C4'-P-C4' energy: -115.668
flat angles P-C4'-P energy: -73.404
tors. eta vs tors. theta energy: -138.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1755.616513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.616513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.616513 (E_RNA)
where:
Base-Base interactions energy: -1219.274
where: short stacking energy: -519.339
Base-Backbone interact. energy: -1.222
local terms energy: -535.120689
where:
bonds (distance) C4'-P energy: -101.183
bonds (distance) P-C4' energy: -105.753
flat angles C4'-P-C4' energy: -114.320
flat angles P-C4'-P energy: -71.250
tors. eta vs tors. theta energy: -142.614
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: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1744.578372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.578372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.578372 (E_RNA)
where:
Base-Base interactions energy: -1215.460
where: short stacking energy: -511.317
Base-Backbone interact. energy: -2.359
local terms energy: -526.758754
where:
bonds (distance) C4'-P energy: -99.540
bonds (distance) P-C4' energy: -90.997
flat angles C4'-P-C4' energy: -118.647
flat angles P-C4'-P energy: -77.456
tors. eta vs tors. theta energy: -140.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1593.767228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.767228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.767228 (E_RNA)
where:
Base-Base interactions energy: -1097.769
where: short stacking energy: -441.081
Base-Backbone interact. energy: -4.811
local terms energy: -491.187890
where:
bonds (distance) C4'-P energy: -95.523
bonds (distance) P-C4' energy: -86.906
flat angles C4'-P-C4' energy: -112.842
flat angles P-C4'-P energy: -69.827
tors. eta vs tors. theta energy: -126.090
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: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1550.043308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.043308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.043308 (E_RNA)
where:
Base-Base interactions energy: -1089.488
where: short stacking energy: -442.308
Base-Backbone interact. energy: 5.707
local terms energy: -466.262182
where:
bonds (distance) C4'-P energy: -86.793
bonds (distance) P-C4' energy: -99.436
flat angles C4'-P-C4' energy: -99.431
flat angles P-C4'-P energy: -73.597
tors. eta vs tors. theta energy: -107.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1514.798305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.798305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.798305 (E_RNA)
where:
Base-Base interactions energy: -1047.147
where: short stacking energy: -394.137
Base-Backbone interact. energy: -3.025
local terms energy: -464.626752
where:
bonds (distance) C4'-P energy: -94.785
bonds (distance) P-C4' energy: -83.934
flat angles C4'-P-C4' energy: -104.890
flat angles P-C4'-P energy: -70.065
tors. eta vs tors. theta energy: -110.952
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: 408
Temperature: 1.200000
Total energy: -1342.145818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.145818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.145818 (E_RNA)
where:
Base-Base interactions energy: -916.858
where: short stacking energy: -396.236
Base-Backbone interact. energy: -3.720
local terms energy: -421.567181
where:
bonds (distance) C4'-P energy: -89.544
bonds (distance) P-C4' energy: -85.101
flat angles C4'-P-C4' energy: -93.546
flat angles P-C4'-P energy: -52.812
tors. eta vs tors. theta energy: -100.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1159.164237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.164237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.164237 (E_RNA)
where:
Base-Base interactions energy: -768.940
where: short stacking energy: -332.999
Base-Backbone interact. energy: 0.953
local terms energy: -391.176802
where:
bonds (distance) C4'-P energy: -99.729
bonds (distance) P-C4' energy: -91.681
flat angles C4'-P-C4' energy: -79.993
flat angles P-C4'-P energy: -52.297
tors. eta vs tors. theta energy: -67.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -904.208834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.208834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.208834 (E_RNA)
where:
Base-Base interactions energy: -559.267
where: short stacking energy: -266.186
Base-Backbone interact. energy: 9.934
local terms energy: -354.876253
where:
bonds (distance) C4'-P energy: -79.916
bonds (distance) P-C4' energy: -79.310
flat angles C4'-P-C4' energy: -91.736
flat angles P-C4'-P energy: -57.792
tors. eta vs tors. theta energy: -46.123
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: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -646.165244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.165244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.165244 (E_RNA)
where:
Base-Base interactions energy: -370.101
where: short stacking energy: -184.351
Base-Backbone interact. energy: -1.289
local terms energy: -274.774896
where:
bonds (distance) C4'-P energy: -69.055
bonds (distance) P-C4' energy: -74.597
flat angles C4'-P-C4' energy: -72.905
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1824.405739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.405739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.405739 (E_RNA)
where:
Base-Base interactions energy: -1295.940
where: short stacking energy: -495.133
Base-Backbone interact. energy: -2.871
local terms energy: -525.593995
where:
bonds (distance) C4'-P energy: -95.896
bonds (distance) P-C4' energy: -103.558
flat angles C4'-P-C4' energy: -122.372
flat angles P-C4'-P energy: -70.892
tors. eta vs tors. theta energy: -132.876
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: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1760.016621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.016621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.016621 (E_RNA)
where:
Base-Base interactions energy: -1239.310
where: short stacking energy: -518.796
Base-Backbone interact. energy: -0.689
local terms energy: -520.018339
where:
bonds (distance) C4'-P energy: -98.002
bonds (distance) P-C4' energy: -85.011
flat angles C4'-P-C4' energy: -118.756
flat angles P-C4'-P energy: -73.101
tors. eta vs tors. theta energy: -145.148
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: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1719.276269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.276269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.276269 (E_RNA)
where:
Base-Base interactions energy: -1200.937
where: short stacking energy: -475.600
Base-Backbone interact. energy: -4.184
local terms energy: -514.154957
where:
bonds (distance) C4'-P energy: -86.500
bonds (distance) P-C4' energy: -97.109
flat angles C4'-P-C4' energy: -118.648
flat angles P-C4'-P energy: -72.199
tors. eta vs tors. theta energy: -139.699
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: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1602.131402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.131402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.131402 (E_RNA)
where:
Base-Base interactions energy: -1114.471
where: short stacking energy: -443.194
Base-Backbone interact. energy: -1.256
local terms energy: -486.404602
where:
bonds (distance) C4'-P energy: -105.464
bonds (distance) P-C4' energy: -93.219
flat angles C4'-P-C4' energy: -103.224
flat angles P-C4'-P energy: -65.945
tors. eta vs tors. theta energy: -118.553
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: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1524.723370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.723370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.723370 (E_RNA)
where:
Base-Base interactions energy: -1055.417
where: short stacking energy: -426.780
Base-Backbone interact. energy: 0.178
local terms energy: -469.484407
where:
bonds (distance) C4'-P energy: -94.251
bonds (distance) P-C4' energy: -98.020
flat angles C4'-P-C4' energy: -100.650
flat angles P-C4'-P energy: -69.920
tors. eta vs tors. theta energy: -106.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1495.850401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.850401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.850401 (E_RNA)
where:
Base-Base interactions energy: -1045.323
where: short stacking energy: -420.562
Base-Backbone interact. energy: -2.446
local terms energy: -448.081389
where:
bonds (distance) C4'-P energy: -99.403
bonds (distance) P-C4' energy: -92.657
flat angles C4'-P-C4' energy: -100.922
flat angles P-C4'-P energy: -49.355
tors. eta vs tors. theta energy: -105.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1278.703560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.703560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.703560 (E_RNA)
where:
Base-Base interactions energy: -869.615
where: short stacking energy: -345.927
Base-Backbone interact. energy: -0.452
local terms energy: -408.636350
where:
bonds (distance) C4'-P energy: -89.412
bonds (distance) P-C4' energy: -80.325
flat angles C4'-P-C4' energy: -95.573
flat angles P-C4'-P energy: -57.791
tors. eta vs tors. theta energy: -85.535
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: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1161.845412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.845412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.845412 (E_RNA)
where:
Base-Base interactions energy: -793.990
where: short stacking energy: -330.924
Base-Backbone interact. energy: -0.863
local terms energy: -366.992352
where:
bonds (distance) C4'-P energy: -64.296
bonds (distance) P-C4' energy: -88.476
flat angles C4'-P-C4' energy: -80.468
flat angles P-C4'-P energy: -63.728
tors. eta vs tors. theta energy: -70.024
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: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -945.793049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.793049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.793049 (E_RNA)
where:
Base-Base interactions energy: -617.885
where: short stacking energy: -302.612
Base-Backbone interact. energy: 1.477
local terms energy: -329.384886
where:
bonds (distance) C4'-P energy: -46.988
bonds (distance) P-C4' energy: -100.898
flat angles C4'-P-C4' energy: -85.002
flat angles P-C4'-P energy: -44.194
tors. eta vs tors. theta energy: -52.304
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: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -647.458100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.458100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.458100 (E_RNA)
where:
Base-Base interactions energy: -362.190
where: short stacking energy: -187.370
Base-Backbone interact. energy: 2.665
local terms energy: -287.933673
where:
bonds (distance) C4'-P energy: -85.960
bonds (distance) P-C4' energy: -84.855
flat angles C4'-P-C4' energy: -75.552
flat angles P-C4'-P energy: -47.531
tors. eta vs tors. theta energy: 5.964
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: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1857.628491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.628491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.628491 (E_RNA)
where:
Base-Base interactions energy: -1320.355
where: short stacking energy: -505.973
Base-Backbone interact. energy: -1.842
local terms energy: -535.431288
where:
bonds (distance) C4'-P energy: -111.404
bonds (distance) P-C4' energy: -97.427
flat angles C4'-P-C4' energy: -118.844
flat angles P-C4'-P energy: -68.362
tors. eta vs tors. theta energy: -139.394
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: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1721.100496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.100496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.100496 (E_RNA)
where:
Base-Base interactions energy: -1213.330
where: short stacking energy: -499.662
Base-Backbone interact. energy: -0.559
local terms energy: -507.211586
where:
bonds (distance) C4'-P energy: -83.734
bonds (distance) P-C4' energy: -108.438
flat angles C4'-P-C4' energy: -98.235
flat angles P-C4'-P energy: -79.924
tors. eta vs tors. theta energy: -136.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1710.662686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.662686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.662686 (E_RNA)
where:
Base-Base interactions energy: -1190.147
where: short stacking energy: -477.596
Base-Backbone interact. energy: -1.913
local terms energy: -518.602251
where:
bonds (distance) C4'-P energy: -95.395
bonds (distance) P-C4' energy: -99.515
flat angles C4'-P-C4' energy: -119.209
flat angles P-C4'-P energy: -76.836
tors. eta vs tors. theta energy: -127.648
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: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1575.106181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.106181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.106181 (E_RNA)
where:
Base-Base interactions energy: -1108.352
where: short stacking energy: -459.479
Base-Backbone interact. energy: -2.154
local terms energy: -464.600374
where:
bonds (distance) C4'-P energy: -83.809
bonds (distance) P-C4' energy: -88.577
flat angles C4'-P-C4' energy: -104.237
flat angles P-C4'-P energy: -72.332
tors. eta vs tors. theta energy: -115.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1499.649105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.649105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.649105 (E_RNA)
where:
Base-Base interactions energy: -1025.574
where: short stacking energy: -421.726
Base-Backbone interact. energy: 0.039
local terms energy: -474.114163
where:
bonds (distance) C4'-P energy: -91.760
bonds (distance) P-C4' energy: -89.134
flat angles C4'-P-C4' energy: -108.606
flat angles P-C4'-P energy: -77.936
tors. eta vs tors. theta energy: -106.679
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: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1455.196168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.196168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.196168 (E_RNA)
where:
Base-Base interactions energy: -1011.450
where: short stacking energy: -412.024
Base-Backbone interact. energy: -1.794
local terms energy: -441.951433
where:
bonds (distance) C4'-P energy: -85.271
bonds (distance) P-C4' energy: -88.782
flat angles C4'-P-C4' energy: -90.338
flat angles P-C4'-P energy: -62.015
tors. eta vs tors. theta energy: -115.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1321.528158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.528158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.528158 (E_RNA)
where:
Base-Base interactions energy: -917.221
where: short stacking energy: -397.773
Base-Backbone interact. energy: -0.939
local terms energy: -403.368600
where:
bonds (distance) C4'-P energy: -86.621
bonds (distance) P-C4' energy: -77.152
flat angles C4'-P-C4' energy: -101.762
flat angles P-C4'-P energy: -43.404
tors. eta vs tors. theta energy: -94.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1142.995482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.995482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.995482 (E_RNA)
where:
Base-Base interactions energy: -742.091
where: short stacking energy: -337.961
Base-Backbone interact. energy: 0.236
local terms energy: -401.140024
where:
bonds (distance) C4'-P energy: -89.296
bonds (distance) P-C4' energy: -103.513
flat angles C4'-P-C4' energy: -82.424
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -77.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -933.220106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.220106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.220106 (E_RNA)
where:
Base-Base interactions energy: -589.263
where: short stacking energy: -260.117
Base-Backbone interact. energy: -3.182
local terms energy: -340.775463
where:
bonds (distance) C4'-P energy: -82.286
bonds (distance) P-C4' energy: -78.024
flat angles C4'-P-C4' energy: -85.500
flat angles P-C4'-P energy: -58.885
tors. eta vs tors. theta energy: -36.081
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: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -615.722067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.722067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.722067 (E_RNA)
where:
Base-Base interactions energy: -322.988
where: short stacking energy: -172.761
Base-Backbone interact. energy: -1.296
local terms energy: -291.438601
where:
bonds (distance) C4'-P energy: -76.246
bonds (distance) P-C4' energy: -85.072
flat angles C4'-P-C4' energy: -89.050
flat angles P-C4'-P energy: -29.844
tors. eta vs tors. theta energy: -11.227
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: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1849.167537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.167537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.167537 (E_RNA)
where:
Base-Base interactions energy: -1306.336
where: short stacking energy: -520.781
Base-Backbone interact. energy: -0.911
local terms energy: -541.920809
where:
bonds (distance) C4'-P energy: -93.964
bonds (distance) P-C4' energy: -109.504
flat angles C4'-P-C4' energy: -109.408
flat angles P-C4'-P energy: -83.555
tors. eta vs tors. theta energy: -145.489
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: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1737.391730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.391730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.391730 (E_RNA)
where:
Base-Base interactions energy: -1204.733
where: short stacking energy: -513.724
Base-Backbone interact. energy: -1.419
local terms energy: -531.239534
where:
bonds (distance) C4'-P energy: -94.391
bonds (distance) P-C4' energy: -109.151
flat angles C4'-P-C4' energy: -103.907
flat angles P-C4'-P energy: -74.923
tors. eta vs tors. theta energy: -148.868
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: 411
Temperature: 1.000000
Total energy: -1702.145504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.145504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.145504 (E_RNA)
where:
Base-Base interactions energy: -1200.176
where: short stacking energy: -502.164
Base-Backbone interact. energy: 2.848
local terms energy: -504.817787
where:
bonds (distance) C4'-P energy: -87.297
bonds (distance) P-C4' energy: -95.886
flat angles C4'-P-C4' energy: -114.027
flat angles P-C4'-P energy: -66.010
tors. eta vs tors. theta energy: -141.598
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: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1609.933032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.933032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.933032 (E_RNA)
where:
Base-Base interactions energy: -1091.976
where: short stacking energy: -452.508
Base-Backbone interact. energy: -2.599
local terms energy: -515.358108
where:
bonds (distance) C4'-P energy: -101.765
bonds (distance) P-C4' energy: -106.859
flat angles C4'-P-C4' energy: -107.200
flat angles P-C4'-P energy: -69.435
tors. eta vs tors. theta energy: -130.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1540.471978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.471978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.471978 (E_RNA)
where:
Base-Base interactions energy: -1074.696
where: short stacking energy: -446.220
Base-Backbone interact. energy: -2.952
local terms energy: -462.823717
where:
bonds (distance) C4'-P energy: -82.492
bonds (distance) P-C4' energy: -93.930
flat angles C4'-P-C4' energy: -103.711
flat angles P-C4'-P energy: -65.469
tors. eta vs tors. theta energy: -117.222
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: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1506.153340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.153340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.153340 (E_RNA)
where:
Base-Base interactions energy: -1036.781
where: short stacking energy: -442.705
Base-Backbone interact. energy: 0.647
local terms energy: -470.020093
where:
bonds (distance) C4'-P energy: -91.761
bonds (distance) P-C4' energy: -94.864
flat angles C4'-P-C4' energy: -107.922
flat angles P-C4'-P energy: -57.765
tors. eta vs tors. theta energy: -117.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1356.232674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.232674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.232674 (E_RNA)
where:
Base-Base interactions energy: -934.259
where: short stacking energy: -400.167
Base-Backbone interact. energy: 1.351
local terms energy: -423.325022
where:
bonds (distance) C4'-P energy: -87.491
bonds (distance) P-C4' energy: -98.653
flat angles C4'-P-C4' energy: -91.899
flat angles P-C4'-P energy: -53.871
tors. eta vs tors. theta energy: -91.412
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: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1128.673071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.673071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.673071 (E_RNA)
where:
Base-Base interactions energy: -747.106
where: short stacking energy: -335.087
Base-Backbone interact. energy: 5.282
local terms energy: -386.848812
where:
bonds (distance) C4'-P energy: -73.993
bonds (distance) P-C4' energy: -84.555
flat angles C4'-P-C4' energy: -88.016
flat angles P-C4'-P energy: -64.002
tors. eta vs tors. theta energy: -76.283
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: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -957.534348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.534348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.534348 (E_RNA)
where:
Base-Base interactions energy: -641.641
where: short stacking energy: -275.188
Base-Backbone interact. energy: 4.647
local terms energy: -320.540222
where:
bonds (distance) C4'-P energy: -69.675
bonds (distance) P-C4' energy: -77.897
flat angles C4'-P-C4' energy: -80.101
flat angles P-C4'-P energy: -51.363
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: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -626.420774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.420774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.420774 (E_RNA)
where:
Base-Base interactions energy: -314.577
where: short stacking energy: -163.612
Base-Backbone interact. energy: -1.172
local terms energy: -310.670928
where:
bonds (distance) C4'-P energy: -103.335
bonds (distance) P-C4' energy: -85.835
flat angles C4'-P-C4' energy: -63.037
flat angles P-C4'-P energy: -50.204
tors. eta vs tors. theta energy: -8.260
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: 412
Temperature: 0.900000
Total energy: -1844.293228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.293228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.293228 (E_RNA)
where:
Base-Base interactions energy: -1313.259
where: short stacking energy: -527.208
Base-Backbone interact. energy: -4.410
local terms energy: -526.623904
where:
bonds (distance) C4'-P energy: -93.801
bonds (distance) P-C4' energy: -105.096
flat angles C4'-P-C4' energy: -111.863
flat angles P-C4'-P energy: -78.188
tors. eta vs tors. theta energy: -137.677
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: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1749.319742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.319742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.319742 (E_RNA)
where:
Base-Base interactions energy: -1220.923
where: short stacking energy: -512.040
Base-Backbone interact. energy: 0.766
local terms energy: -529.162689
where:
bonds (distance) C4'-P energy: -105.411
bonds (distance) P-C4' energy: -102.379
flat angles C4'-P-C4' energy: -112.312
flat angles P-C4'-P energy: -68.591
tors. eta vs tors. theta energy: -140.469
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: 412
Temperature: 1.000000
Total energy: -1743.799380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.799380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.799380 (E_RNA)
where:
Base-Base interactions energy: -1243.422
where: short stacking energy: -484.159
Base-Backbone interact. energy: -2.552
local terms energy: -497.824616
where:
bonds (distance) C4'-P energy: -83.184
bonds (distance) P-C4' energy: -95.206
flat angles C4'-P-C4' energy: -111.228
flat angles P-C4'-P energy: -69.533
tors. eta vs tors. theta energy: -138.673
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: 412
Temperature: 1.050000
Total energy: -1610.966377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.966377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.966377 (E_RNA)
where:
Base-Base interactions energy: -1147.530
where: short stacking energy: -442.184
Base-Backbone interact. energy: -4.644
local terms energy: -458.791842
where:
bonds (distance) C4'-P energy: -87.510
bonds (distance) P-C4' energy: -89.256
flat angles C4'-P-C4' energy: -100.578
flat angles P-C4'-P energy: -54.745
tors. eta vs tors. theta energy: -126.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1545.664484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.664484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.664484 (E_RNA)
where:
Base-Base interactions energy: -1090.883
where: short stacking energy: -429.125
Base-Backbone interact. energy: 0.649
local terms energy: -455.430451
where:
bonds (distance) C4'-P energy: -87.656
bonds (distance) P-C4' energy: -102.150
flat angles C4'-P-C4' energy: -89.304
flat angles P-C4'-P energy: -67.902
tors. eta vs tors. theta energy: -108.419
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: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1519.632925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.632925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.632925 (E_RNA)
where:
Base-Base interactions energy: -1028.504
where: short stacking energy: -431.796
Base-Backbone interact. energy: 0.116
local terms energy: -491.244953
where:
bonds (distance) C4'-P energy: -96.788
bonds (distance) P-C4' energy: -94.479
flat angles C4'-P-C4' energy: -102.408
flat angles P-C4'-P energy: -74.633
tors. eta vs tors. theta energy: -122.937
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: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1316.303362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.303362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.303362 (E_RNA)
where:
Base-Base interactions energy: -866.646
where: short stacking energy: -351.550
Base-Backbone interact. energy: -1.540
local terms energy: -448.116772
where:
bonds (distance) C4'-P energy: -81.775
bonds (distance) P-C4' energy: -104.403
flat angles C4'-P-C4' energy: -105.716
flat angles P-C4'-P energy: -69.963
tors. eta vs tors. theta energy: -86.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1041.550549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.550549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.550549 (E_RNA)
where:
Base-Base interactions energy: -671.001
where: short stacking energy: -296.925
Base-Backbone interact. energy: -4.686
local terms energy: -365.863503
where:
bonds (distance) C4'-P energy: -76.151
bonds (distance) P-C4' energy: -86.173
flat angles C4'-P-C4' energy: -83.340
flat angles P-C4'-P energy: -56.941
tors. eta vs tors. theta energy: -63.258
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: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -935.703099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.703099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.703099 (E_RNA)
where:
Base-Base interactions energy: -586.328
where: short stacking energy: -276.717
Base-Backbone interact. energy: 0.878
local terms energy: -350.252436
where:
bonds (distance) C4'-P energy: -84.245
bonds (distance) P-C4' energy: -81.865
flat angles C4'-P-C4' energy: -85.865
flat angles P-C4'-P energy: -50.815
tors. eta vs tors. theta energy: -47.463
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: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -603.205385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.205385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.205385 (E_RNA)
where:
Base-Base interactions energy: -308.259
where: short stacking energy: -167.420
Base-Backbone interact. energy: 2.050
local terms energy: -296.995850
where:
bonds (distance) C4'-P energy: -70.701
bonds (distance) P-C4' energy: -77.787
flat angles C4'-P-C4' energy: -88.490
flat angles P-C4'-P energy: -59.175
tors. eta vs tors. theta energy: -0.843
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: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1850.658040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.658040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.658040 (E_RNA)
where:
Base-Base interactions energy: -1308.221
where: short stacking energy: -546.516
Base-Backbone interact. energy: -3.635
local terms energy: -538.801434
where:
bonds (distance) C4'-P energy: -104.588
bonds (distance) P-C4' energy: -108.207
flat angles C4'-P-C4' energy: -104.117
flat angles P-C4'-P energy: -73.463
tors. eta vs tors. theta energy: -148.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1760.350085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.350085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.350085 (E_RNA)
where:
Base-Base interactions energy: -1243.415
where: short stacking energy: -469.868
Base-Backbone interact. energy: 3.542
local terms energy: -520.477027
where:
bonds (distance) C4'-P energy: -85.614
bonds (distance) P-C4' energy: -104.378
flat angles C4'-P-C4' energy: -117.843
flat angles P-C4'-P energy: -77.895
tors. eta vs tors. theta energy: -134.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1702.097665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.097665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.097665 (E_RNA)
where:
Base-Base interactions energy: -1201.806
where: short stacking energy: -500.254
Base-Backbone interact. energy: -1.051
local terms energy: -499.240345
where:
bonds (distance) C4'-P energy: -81.308
bonds (distance) P-C4' energy: -93.775
flat angles C4'-P-C4' energy: -105.965
flat angles P-C4'-P energy: -82.405
tors. eta vs tors. theta energy: -135.788
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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1639.450884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.450884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.450884 (E_RNA)
where:
Base-Base interactions energy: -1124.194
where: short stacking energy: -472.726
Base-Backbone interact. energy: -2.408
local terms energy: -512.849117
where:
bonds (distance) C4'-P energy: -99.679
bonds (distance) P-C4' energy: -103.244
flat angles C4'-P-C4' energy: -113.066
flat angles P-C4'-P energy: -64.336
tors. eta vs tors. theta energy: -132.524
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: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1518.898417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.898417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.898417 (E_RNA)
where:
Base-Base interactions energy: -1068.651
where: short stacking energy: -421.836
Base-Backbone interact. energy: 0.503
local terms energy: -450.750397
where:
bonds (distance) C4'-P energy: -80.427
bonds (distance) P-C4' energy: -93.622
flat angles C4'-P-C4' energy: -99.325
flat angles P-C4'-P energy: -75.559
tors. eta vs tors. theta energy: -101.818
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: 413
Temperature: 1.150000
Total energy: -1516.593054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.593054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.593054 (E_RNA)
where:
Base-Base interactions energy: -1041.997
where: short stacking energy: -439.396
Base-Backbone interact. energy: -1.750
local terms energy: -472.846149
where:
bonds (distance) C4'-P energy: -89.287
bonds (distance) P-C4' energy: -99.941
flat angles C4'-P-C4' energy: -102.523
flat angles P-C4'-P energy: -63.485
tors. eta vs tors. theta energy: -117.610
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: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1329.869628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.869628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.869628 (E_RNA)
where:
Base-Base interactions energy: -896.326
where: short stacking energy: -371.238
Base-Backbone interact. energy: -0.441
local terms energy: -433.102294
where:
bonds (distance) C4'-P energy: -81.767
bonds (distance) P-C4' energy: -93.146
flat angles C4'-P-C4' energy: -102.901
flat angles P-C4'-P energy: -63.006
tors. eta vs tors. theta energy: -92.282
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: 413
Temperature: 1.250000
Total energy: -1047.250315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.250315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.250315 (E_RNA)
where:
Base-Base interactions energy: -691.282
where: short stacking energy: -308.489
Base-Backbone interact. energy: 6.773
local terms energy: -362.740488
where:
bonds (distance) C4'-P energy: -66.590
bonds (distance) P-C4' energy: -80.802
flat angles C4'-P-C4' energy: -81.314
flat angles P-C4'-P energy: -72.366
tors. eta vs tors. theta energy: -61.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -943.981252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.981252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.981252 (E_RNA)
where:
Base-Base interactions energy: -597.119
where: short stacking energy: -269.263
Base-Backbone interact. energy: 1.077
local terms energy: -347.939206
where:
bonds (distance) C4'-P energy: -74.942
bonds (distance) P-C4' energy: -84.397
flat angles C4'-P-C4' energy: -81.553
flat angles P-C4'-P energy: -62.524
tors. eta vs tors. theta energy: -44.523
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: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -543.445309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.445309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.445309 (E_RNA)
where:
Base-Base interactions energy: -272.178
where: short stacking energy: -160.964
Base-Backbone interact. energy: 1.268
local terms energy: -272.535703
where:
bonds (distance) C4'-P energy: -72.942
bonds (distance) P-C4' energy: -90.765
flat angles C4'-P-C4' energy: -55.928
flat angles P-C4'-P energy: -45.336
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: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1846.253060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.253060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.253060 (E_RNA)
where:
Base-Base interactions energy: -1298.520
where: short stacking energy: -521.466
Base-Backbone interact. energy: -4.536
local terms energy: -543.197375
where:
bonds (distance) C4'-P energy: -97.156
bonds (distance) P-C4' energy: -110.846
flat angles C4'-P-C4' energy: -114.269
flat angles P-C4'-P energy: -82.724
tors. eta vs tors. theta energy: -138.201
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: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1778.274590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.274590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.274590 (E_RNA)
where:
Base-Base interactions energy: -1254.324
where: short stacking energy: -533.587
Base-Backbone interact. energy: -3.096
local terms energy: -520.854377
where:
bonds (distance) C4'-P energy: -85.129
bonds (distance) P-C4' energy: -106.505
flat angles C4'-P-C4' energy: -110.445
flat angles P-C4'-P energy: -68.421
tors. eta vs tors. theta energy: -150.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1696.335691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.335691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.335691 (E_RNA)
where:
Base-Base interactions energy: -1187.371
where: short stacking energy: -483.611
Base-Backbone interact. energy: -1.965
local terms energy: -507.000123
where:
bonds (distance) C4'-P energy: -95.302
bonds (distance) P-C4' energy: -94.815
flat angles C4'-P-C4' energy: -108.105
flat angles P-C4'-P energy: -69.214
tors. eta vs tors. theta energy: -139.564
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1650.877456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.877456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.877456 (E_RNA)
where:
Base-Base interactions energy: -1162.941
where: short stacking energy: -461.618
Base-Backbone interact. energy: -0.127
local terms energy: -487.809280
where:
bonds (distance) C4'-P energy: -98.444
bonds (distance) P-C4' energy: -95.430
flat angles C4'-P-C4' energy: -98.387
flat angles P-C4'-P energy: -73.940
tors. eta vs tors. theta energy: -121.607
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: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1533.098767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.098767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.098767 (E_RNA)
where:
Base-Base interactions energy: -1075.322
where: short stacking energy: -451.429
Base-Backbone interact. energy: -0.403
local terms energy: -457.373837
where:
bonds (distance) C4'-P energy: -75.281
bonds (distance) P-C4' energy: -84.061
flat angles C4'-P-C4' energy: -97.646
flat angles P-C4'-P energy: -75.661
tors. eta vs tors. theta energy: -124.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1465.666154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.666154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.666154 (E_RNA)
where:
Base-Base interactions energy: -1011.133
where: short stacking energy: -401.191
Base-Backbone interact. energy: -3.724
local terms energy: -450.809334
where:
bonds (distance) C4'-P energy: -84.598
bonds (distance) P-C4' energy: -101.201
flat angles C4'-P-C4' energy: -94.799
flat angles P-C4'-P energy: -69.303
tors. eta vs tors. theta energy: -100.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1286.948068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.948068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.948068 (E_RNA)
where:
Base-Base interactions energy: -873.012
where: short stacking energy: -344.060
Base-Backbone interact. energy: -0.665
local terms energy: -413.271770
where:
bonds (distance) C4'-P energy: -86.088
bonds (distance) P-C4' energy: -90.099
flat angles C4'-P-C4' energy: -96.712
flat angles P-C4'-P energy: -57.098
tors. eta vs tors. theta energy: -83.275
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: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1074.966121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.966121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.966121 (E_RNA)
where:
Base-Base interactions energy: -690.386
where: short stacking energy: -320.140
Base-Backbone interact. energy: 3.632
local terms energy: -388.212819
where:
bonds (distance) C4'-P energy: -85.829
bonds (distance) P-C4' energy: -94.442
flat angles C4'-P-C4' energy: -90.252
flat angles P-C4'-P energy: -48.313
tors. eta vs tors. theta energy: -69.377
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: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -953.489671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.489671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.489671 (E_RNA)
where:
Base-Base interactions energy: -619.564
where: short stacking energy: -287.594
Base-Backbone interact. energy: -0.466
local terms energy: -333.460033
where:
bonds (distance) C4'-P energy: -83.669
bonds (distance) P-C4' energy: -90.622
flat angles C4'-P-C4' energy: -73.674
flat angles P-C4'-P energy: -52.515
tors. eta vs tors. theta energy: -32.980
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: 414
Temperature: 1.350000
Total energy: -529.935288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.935288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.935288 (E_RNA)
where:
Base-Base interactions energy: -263.661
where: short stacking energy: -141.048
Base-Backbone interact. energy: 0.688
local terms energy: -266.962655
where:
bonds (distance) C4'-P energy: -88.344
bonds (distance) P-C4' energy: -93.937
flat angles C4'-P-C4' energy: -75.680
flat angles P-C4'-P energy: -29.824
tors. eta vs tors. theta energy: 20.823
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: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1823.530858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.530858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.530858 (E_RNA)
where:
Base-Base interactions energy: -1283.318
where: short stacking energy: -502.018
Base-Backbone interact. energy: -2.666
local terms energy: -537.546486
where:
bonds (distance) C4'-P energy: -115.866
bonds (distance) P-C4' energy: -108.271
flat angles C4'-P-C4' energy: -114.487
flat angles P-C4'-P energy: -64.656
tors. eta vs tors. theta energy: -134.266
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: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1780.269810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.269810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.269810 (E_RNA)
where:
Base-Base interactions energy: -1245.628
where: short stacking energy: -525.125
Base-Backbone interact. energy: 3.172
local terms energy: -537.813926
where:
bonds (distance) C4'-P energy: -110.498
bonds (distance) P-C4' energy: -95.252
flat angles C4'-P-C4' energy: -96.723
flat angles P-C4'-P energy: -82.469
tors. eta vs tors. theta energy: -152.871
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: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1724.961806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.961806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.961806 (E_RNA)
where:
Base-Base interactions energy: -1202.789
where: short stacking energy: -485.228
Base-Backbone interact. energy: -1.990
local terms energy: -520.182237
where:
bonds (distance) C4'-P energy: -95.446
bonds (distance) P-C4' energy: -97.093
flat angles C4'-P-C4' energy: -112.743
flat angles P-C4'-P energy: -77.260
tors. eta vs tors. theta energy: -137.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1653.193360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.193360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.193360 (E_RNA)
where:
Base-Base interactions energy: -1147.173
where: short stacking energy: -473.759
Base-Backbone interact. energy: -2.271
local terms energy: -503.749142
where:
bonds (distance) C4'-P energy: -100.945
bonds (distance) P-C4' energy: -89.694
flat angles C4'-P-C4' energy: -111.620
flat angles P-C4'-P energy: -69.539
tors. eta vs tors. theta energy: -131.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1542.297205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.297205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.297205 (E_RNA)
where:
Base-Base interactions energy: -1081.375
where: short stacking energy: -421.447
Base-Backbone interact. energy: 2.325
local terms energy: -463.246849
where:
bonds (distance) C4'-P energy: -84.672
bonds (distance) P-C4' energy: -109.420
flat angles C4'-P-C4' energy: -96.767
flat angles P-C4'-P energy: -63.523
tors. eta vs tors. theta energy: -108.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1494.983055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.983055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.983055 (E_RNA)
where:
Base-Base interactions energy: -1036.311
where: short stacking energy: -411.558
Base-Backbone interact. energy: 0.207
local terms energy: -458.878971
where:
bonds (distance) C4'-P energy: -81.622
bonds (distance) P-C4' energy: -83.819
flat angles C4'-P-C4' energy: -99.513
flat angles P-C4'-P energy: -81.849
tors. eta vs tors. theta energy: -112.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1288.192206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.192206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.192206 (E_RNA)
where:
Base-Base interactions energy: -864.006
where: short stacking energy: -379.607
Base-Backbone interact. energy: -0.170
local terms energy: -424.016604
where:
bonds (distance) C4'-P energy: -91.954
bonds (distance) P-C4' energy: -81.168
flat angles C4'-P-C4' energy: -101.882
flat angles P-C4'-P energy: -67.570
tors. eta vs tors. theta energy: -81.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1060.928553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.928553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.928553 (E_RNA)
where:
Base-Base interactions energy: -695.673
where: short stacking energy: -299.131
Base-Backbone interact. energy: -0.302
local terms energy: -364.953609
where:
bonds (distance) C4'-P energy: -78.822
bonds (distance) P-C4' energy: -85.399
flat angles C4'-P-C4' energy: -77.118
flat angles P-C4'-P energy: -51.699
tors. eta vs tors. theta energy: -71.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -911.897028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.897028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.897028 (E_RNA)
where:
Base-Base interactions energy: -592.129
where: short stacking energy: -257.130
Base-Backbone interact. energy: -2.246
local terms energy: -317.522361
where:
bonds (distance) C4'-P energy: -71.379
bonds (distance) P-C4' energy: -76.063
flat angles C4'-P-C4' energy: -77.265
flat angles P-C4'-P energy: -55.017
tors. eta vs tors. theta energy: -37.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -561.273052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.273052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.273052 (E_RNA)
where:
Base-Base interactions energy: -271.744
where: short stacking energy: -156.279
Base-Backbone interact. energy: -2.316
local terms energy: -287.213145
where:
bonds (distance) C4'-P energy: -91.732
bonds (distance) P-C4' energy: -97.502
flat angles C4'-P-C4' energy: -71.496
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1816.581010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.581010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.581010 (E_RNA)
where:
Base-Base interactions energy: -1288.399
where: short stacking energy: -514.835
Base-Backbone interact. energy: -2.394
local terms energy: -525.788648
where:
bonds (distance) C4'-P energy: -101.904
bonds (distance) P-C4' energy: -100.618
flat angles C4'-P-C4' energy: -107.701
flat angles P-C4'-P energy: -78.011
tors. eta vs tors. theta energy: -137.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1758.255122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.255122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.255122 (E_RNA)
where:
Base-Base interactions energy: -1241.108
where: short stacking energy: -504.057
Base-Backbone interact. energy: -4.334
local terms energy: -512.813813
where:
bonds (distance) C4'-P energy: -90.033
bonds (distance) P-C4' energy: -105.244
flat angles C4'-P-C4' energy: -110.213
flat angles P-C4'-P energy: -75.660
tors. eta vs tors. theta energy: -131.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1694.675521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.675521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.675521 (E_RNA)
where:
Base-Base interactions energy: -1204.128
where: short stacking energy: -488.708
Base-Backbone interact. energy: -3.115
local terms energy: -487.433255
where:
bonds (distance) C4'-P energy: -97.344
bonds (distance) P-C4' energy: -95.216
flat angles C4'-P-C4' energy: -100.986
flat angles P-C4'-P energy: -62.542
tors. eta vs tors. theta energy: -131.345
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: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1637.100318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.100318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.100318 (E_RNA)
where:
Base-Base interactions energy: -1166.344
where: short stacking energy: -461.545
Base-Backbone interact. energy: -2.353
local terms energy: -468.403124
where:
bonds (distance) C4'-P energy: -91.678
bonds (distance) P-C4' energy: -77.063
flat angles C4'-P-C4' energy: -115.374
flat angles P-C4'-P energy: -70.113
tors. eta vs tors. theta energy: -114.175
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: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1591.739485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.739485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.739485 (E_RNA)
where:
Base-Base interactions energy: -1099.318
where: short stacking energy: -470.746
Base-Backbone interact. energy: -2.145
local terms energy: -490.275999
where:
bonds (distance) C4'-P energy: -82.086
bonds (distance) P-C4' energy: -100.322
flat angles C4'-P-C4' energy: -109.040
flat angles P-C4'-P energy: -70.452
tors. eta vs tors. theta energy: -128.377
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: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1483.492291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.492291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.492291 (E_RNA)
where:
Base-Base interactions energy: -1021.694
where: short stacking energy: -424.539
Base-Backbone interact. energy: 1.736
local terms energy: -463.534417
where:
bonds (distance) C4'-P energy: -93.290
bonds (distance) P-C4' energy: -100.899
flat angles C4'-P-C4' energy: -88.846
flat angles P-C4'-P energy: -66.003
tors. eta vs tors. theta energy: -114.496
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: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1318.835092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.835092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.835092 (E_RNA)
where:
Base-Base interactions energy: -883.318
where: short stacking energy: -351.278
Base-Backbone interact. energy: -0.618
local terms energy: -434.899092
where:
bonds (distance) C4'-P energy: -83.278
bonds (distance) P-C4' energy: -90.367
flat angles C4'-P-C4' energy: -110.346
flat angles P-C4'-P energy: -68.574
tors. eta vs tors. theta energy: -82.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1062.732225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.732225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.732225 (E_RNA)
where:
Base-Base interactions energy: -685.691
where: short stacking energy: -312.164
Base-Backbone interact. energy: -1.356
local terms energy: -375.686083
where:
bonds (distance) C4'-P energy: -79.843
bonds (distance) P-C4' energy: -76.587
flat angles C4'-P-C4' energy: -100.168
flat angles P-C4'-P energy: -56.705
tors. eta vs tors. theta energy: -62.382
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: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -892.365564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.365564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.365564 (E_RNA)
where:
Base-Base interactions energy: -537.066
where: short stacking energy: -257.588
Base-Backbone interact. energy: -3.429
local terms energy: -351.870761
where:
bonds (distance) C4'-P energy: -78.989
bonds (distance) P-C4' energy: -87.030
flat angles C4'-P-C4' energy: -84.299
flat angles P-C4'-P energy: -39.244
tors. eta vs tors. theta energy: -62.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -554.029562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.029562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.029562 (E_RNA)
where:
Base-Base interactions energy: -257.039
where: short stacking energy: -164.178
Base-Backbone interact. energy: -1.599
local terms energy: -295.390830
where:
bonds (distance) C4'-P energy: -83.997
bonds (distance) P-C4' energy: -102.308
flat angles C4'-P-C4' energy: -55.020
flat angles P-C4'-P energy: -50.295
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1817.936227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.936227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.936227 (E_RNA)
where:
Base-Base interactions energy: -1277.932
where: short stacking energy: -496.616
Base-Backbone interact. energy: -0.101
local terms energy: -539.902718
where:
bonds (distance) C4'-P energy: -99.324
bonds (distance) P-C4' energy: -100.724
flat angles C4'-P-C4' energy: -121.654
flat angles P-C4'-P energy: -79.216
tors. eta vs tors. theta energy: -138.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1780.873309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.873309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.873309 (E_RNA)
where:
Base-Base interactions energy: -1259.903
where: short stacking energy: -522.991
Base-Backbone interact. energy: -1.261
local terms energy: -519.708522
where:
bonds (distance) C4'-P energy: -91.011
bonds (distance) P-C4' energy: -103.534
flat angles C4'-P-C4' energy: -107.428
flat angles P-C4'-P energy: -77.296
tors. eta vs tors. theta energy: -140.439
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: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1691.540189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.540189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.540189 (E_RNA)
where:
Base-Base interactions energy: -1184.336
where: short stacking energy: -497.104
Base-Backbone interact. energy: -0.246
local terms energy: -506.957425
where:
bonds (distance) C4'-P energy: -108.744
bonds (distance) P-C4' energy: -82.465
flat angles C4'-P-C4' energy: -116.918
flat angles P-C4'-P energy: -75.299
tors. eta vs tors. theta energy: -123.531
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: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1610.486536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.486536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.486536 (E_RNA)
where:
Base-Base interactions energy: -1140.102
where: short stacking energy: -455.600
Base-Backbone interact. energy: 2.290
local terms energy: -472.674332
where:
bonds (distance) C4'-P energy: -80.040
bonds (distance) P-C4' energy: -100.817
flat angles C4'-P-C4' energy: -99.473
flat angles P-C4'-P energy: -70.151
tors. eta vs tors. theta energy: -122.193
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: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1575.392414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.392414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.392414 (E_RNA)
where:
Base-Base interactions energy: -1128.186
where: short stacking energy: -470.585
Base-Backbone interact. energy: -5.066
local terms energy: -442.140090
where:
bonds (distance) C4'-P energy: -67.463
bonds (distance) P-C4' energy: -78.665
flat angles C4'-P-C4' energy: -107.376
flat angles P-C4'-P energy: -73.074
tors. eta vs tors. theta energy: -115.562
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: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1485.045015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.045015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.045015 (E_RNA)
where:
Base-Base interactions energy: -1025.369
where: short stacking energy: -445.991
Base-Backbone interact. energy: -0.827
local terms energy: -458.849433
where:
bonds (distance) C4'-P energy: -73.348
bonds (distance) P-C4' energy: -88.037
flat angles C4'-P-C4' energy: -111.982
flat angles P-C4'-P energy: -54.800
tors. eta vs tors. theta energy: -130.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1337.718931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.718931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.718931 (E_RNA)
where:
Base-Base interactions energy: -909.449
where: short stacking energy: -377.578
Base-Backbone interact. energy: -0.751
local terms energy: -427.519261
where:
bonds (distance) C4'-P energy: -90.305
bonds (distance) P-C4' energy: -70.021
flat angles C4'-P-C4' energy: -91.388
flat angles P-C4'-P energy: -80.295
tors. eta vs tors. theta energy: -95.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1136.634603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.634603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.634603 (E_RNA)
where:
Base-Base interactions energy: -757.587
where: short stacking energy: -342.982
Base-Backbone interact. energy: -1.847
local terms energy: -377.199861
where:
bonds (distance) C4'-P energy: -76.581
bonds (distance) P-C4' energy: -83.261
flat angles C4'-P-C4' energy: -89.982
flat angles P-C4'-P energy: -51.509
tors. eta vs tors. theta energy: -75.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -898.586588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.586588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.586588 (E_RNA)
where:
Base-Base interactions energy: -540.794
where: short stacking energy: -238.458
Base-Backbone interact. energy: -2.681
local terms energy: -355.111143
where:
bonds (distance) C4'-P energy: -82.002
bonds (distance) P-C4' energy: -97.443
flat angles C4'-P-C4' energy: -99.730
flat angles P-C4'-P energy: -50.947
tors. eta vs tors. theta energy: -24.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -548.321528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.321528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.321528 (E_RNA)
where:
Base-Base interactions energy: -284.878
where: short stacking energy: -163.350
Base-Backbone interact. energy: -0.256
local terms energy: -263.186991
where:
bonds (distance) C4'-P energy: -70.153
bonds (distance) P-C4' energy: -70.830
flat angles C4'-P-C4' energy: -71.178
flat angles P-C4'-P energy: -42.411
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1814.755441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.755441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.755441 (E_RNA)
where:
Base-Base interactions energy: -1275.535
where: short stacking energy: -540.780
Base-Backbone interact. energy: -4.967
local terms energy: -534.253223
where:
bonds (distance) C4'-P energy: -102.858
bonds (distance) P-C4' energy: -96.218
flat angles C4'-P-C4' energy: -116.108
flat angles P-C4'-P energy: -73.013
tors. eta vs tors. theta energy: -146.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1782.579131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.579131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.579131 (E_RNA)
where:
Base-Base interactions energy: -1265.461
where: short stacking energy: -480.277
Base-Backbone interact. energy: -6.458
local terms energy: -510.660465
where:
bonds (distance) C4'-P energy: -94.851
bonds (distance) P-C4' energy: -96.563
flat angles C4'-P-C4' energy: -109.711
flat angles P-C4'-P energy: -78.193
tors. eta vs tors. theta energy: -131.342
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: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1731.654555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.654555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.654555 (E_RNA)
where:
Base-Base interactions energy: -1228.275
where: short stacking energy: -507.074
Base-Backbone interact. energy: -1.482
local terms energy: -501.897519
where:
bonds (distance) C4'-P energy: -90.068
bonds (distance) P-C4' energy: -96.253
flat angles C4'-P-C4' energy: -116.152
flat angles P-C4'-P energy: -66.509
tors. eta vs tors. theta energy: -132.917
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: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1631.401503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.401503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.401503 (E_RNA)
where:
Base-Base interactions energy: -1157.693
where: short stacking energy: -462.798
Base-Backbone interact. energy: -3.120
local terms energy: -470.588698
where:
bonds (distance) C4'-P energy: -75.467
bonds (distance) P-C4' energy: -103.984
flat angles C4'-P-C4' energy: -112.303
flat angles P-C4'-P energy: -50.516
tors. eta vs tors. theta energy: -128.319
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: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1540.471146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.471146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.471146 (E_RNA)
where:
Base-Base interactions energy: -1059.994
where: short stacking energy: -455.104
Base-Backbone interact. energy: -1.040
local terms energy: -479.437464
where:
bonds (distance) C4'-P energy: -95.199
bonds (distance) P-C4' energy: -98.485
flat angles C4'-P-C4' energy: -91.323
flat angles P-C4'-P energy: -78.972
tors. eta vs tors. theta energy: -115.459
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: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1490.658867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.658867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.658867 (E_RNA)
where:
Base-Base interactions energy: -1069.044
where: short stacking energy: -399.286
Base-Backbone interact. energy: 3.836
local terms energy: -425.451287
where:
bonds (distance) C4'-P energy: -74.706
bonds (distance) P-C4' energy: -84.322
flat angles C4'-P-C4' energy: -105.975
flat angles P-C4'-P energy: -71.950
tors. eta vs tors. theta energy: -88.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1358.929349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.929349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.929349 (E_RNA)
where:
Base-Base interactions energy: -952.257
where: short stacking energy: -398.061
Base-Backbone interact. energy: -1.285
local terms energy: -405.387378
where:
bonds (distance) C4'-P energy: -74.955
bonds (distance) P-C4' energy: -83.802
flat angles C4'-P-C4' energy: -95.809
flat angles P-C4'-P energy: -62.826
tors. eta vs tors. theta energy: -87.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1140.307643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.307643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.307643 (E_RNA)
where:
Base-Base interactions energy: -752.403
where: short stacking energy: -321.831
Base-Backbone interact. energy: 0.707
local terms energy: -388.611869
where:
bonds (distance) C4'-P energy: -80.545
bonds (distance) P-C4' energy: -88.416
flat angles C4'-P-C4' energy: -83.579
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -80.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -908.998955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.998955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.998955 (E_RNA)
where:
Base-Base interactions energy: -584.924
where: short stacking energy: -270.134
Base-Backbone interact. energy: 7.076
local terms energy: -331.151048
where:
bonds (distance) C4'-P energy: -86.669
bonds (distance) P-C4' energy: -81.092
flat angles C4'-P-C4' energy: -80.339
flat angles P-C4'-P energy: -41.939
tors. eta vs tors. theta energy: -41.112
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: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -545.377981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.377981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.377981 (E_RNA)
where:
Base-Base interactions energy: -260.815
where: short stacking energy: -167.984
Base-Backbone interact. energy: -1.974
local terms energy: -282.588996
where:
bonds (distance) C4'-P energy: -77.408
bonds (distance) P-C4' energy: -88.861
flat angles C4'-P-C4' energy: -84.515
flat angles P-C4'-P energy: -43.790
tors. eta vs tors. theta energy: 11.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1841.162744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.162744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.162744 (E_RNA)
where:
Base-Base interactions energy: -1304.880
where: short stacking energy: -548.532
Base-Backbone interact. energy: -4.976
local terms energy: -531.306926
where:
bonds (distance) C4'-P energy: -111.447
bonds (distance) P-C4' energy: -84.818
flat angles C4'-P-C4' energy: -120.932
flat angles P-C4'-P energy: -65.480
tors. eta vs tors. theta energy: -148.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1810.718953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.718953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.718953 (E_RNA)
where:
Base-Base interactions energy: -1285.770
where: short stacking energy: -515.233
Base-Backbone interact. energy: -0.586
local terms energy: -524.362873
where:
bonds (distance) C4'-P energy: -104.058
bonds (distance) P-C4' energy: -105.503
flat angles C4'-P-C4' energy: -111.628
flat angles P-C4'-P energy: -78.758
tors. eta vs tors. theta energy: -124.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1717.929038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.929038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.929038 (E_RNA)
where:
Base-Base interactions energy: -1210.951
where: short stacking energy: -488.325
Base-Backbone interact. energy: -3.317
local terms energy: -503.661830
where:
bonds (distance) C4'-P energy: -84.855
bonds (distance) P-C4' energy: -106.510
flat angles C4'-P-C4' energy: -95.840
flat angles P-C4'-P energy: -72.443
tors. eta vs tors. theta energy: -144.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1646.868727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.868727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.868727 (E_RNA)
where:
Base-Base interactions energy: -1145.948
where: short stacking energy: -478.686
Base-Backbone interact. energy: -3.423
local terms energy: -497.497642
where:
bonds (distance) C4'-P energy: -94.358
bonds (distance) P-C4' energy: -97.195
flat angles C4'-P-C4' energy: -106.690
flat angles P-C4'-P energy: -71.357
tors. eta vs tors. theta energy: -127.898
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: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1517.868940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.868940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.868940 (E_RNA)
where:
Base-Base interactions energy: -1053.314
where: short stacking energy: -436.175
Base-Backbone interact. energy: -1.851
local terms energy: -462.704064
where:
bonds (distance) C4'-P energy: -100.093
bonds (distance) P-C4' energy: -78.229
flat angles C4'-P-C4' energy: -98.678
flat angles P-C4'-P energy: -69.982
tors. eta vs tors. theta energy: -115.723
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: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1543.791489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.791489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.791489 (E_RNA)
where:
Base-Base interactions energy: -1075.432
where: short stacking energy: -426.385
Base-Backbone interact. energy: -3.865
local terms energy: -464.494675
where:
bonds (distance) C4'-P energy: -96.214
bonds (distance) P-C4' energy: -75.071
flat angles C4'-P-C4' energy: -103.799
flat angles P-C4'-P energy: -70.871
tors. eta vs tors. theta energy: -118.539
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: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1342.773619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.773619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.773619 (E_RNA)
where:
Base-Base interactions energy: -932.895
where: short stacking energy: -407.201
Base-Backbone interact. energy: 0.540
local terms energy: -410.418982
where:
bonds (distance) C4'-P energy: -68.967
bonds (distance) P-C4' energy: -96.415
flat angles C4'-P-C4' energy: -100.451
flat angles P-C4'-P energy: -59.538
tors. eta vs tors. theta energy: -85.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1138.897384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.897384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.897384 (E_RNA)
where:
Base-Base interactions energy: -760.541
where: short stacking energy: -324.520
Base-Backbone interact. energy: -1.696
local terms energy: -376.659898
where:
bonds (distance) C4'-P energy: -78.698
bonds (distance) P-C4' energy: -92.345
flat angles C4'-P-C4' energy: -87.794
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -80.920
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: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -928.101318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.101318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.101318 (E_RNA)
where:
Base-Base interactions energy: -611.748
where: short stacking energy: -267.635
Base-Backbone interact. energy: -4.518
local terms energy: -311.835501
where:
bonds (distance) C4'-P energy: -68.622
bonds (distance) P-C4' energy: -83.432
flat angles C4'-P-C4' energy: -81.054
flat angles P-C4'-P energy: -46.564
tors. eta vs tors. theta energy: -32.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -572.278811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.278811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.278811 (E_RNA)
where:
Base-Base interactions energy: -277.515
where: short stacking energy: -169.226
Base-Backbone interact. energy: -4.092
local terms energy: -290.672582
where:
bonds (distance) C4'-P energy: -78.675
bonds (distance) P-C4' energy: -84.618
flat angles C4'-P-C4' energy: -78.107
flat angles P-C4'-P energy: -47.016
tors. eta vs tors. theta energy: -2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1868.627483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.627483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.627483 (E_RNA)
where:
Base-Base interactions energy: -1325.189
where: short stacking energy: -531.983
Base-Backbone interact. energy: -2.468
local terms energy: -540.970028
where:
bonds (distance) C4'-P energy: -107.950
bonds (distance) P-C4' energy: -96.496
flat angles C4'-P-C4' energy: -116.527
flat angles P-C4'-P energy: -78.227
tors. eta vs tors. theta energy: -141.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1809.408120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.408120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.408120 (E_RNA)
where:
Base-Base interactions energy: -1271.392
where: short stacking energy: -530.003
Base-Backbone interact. energy: -3.908
local terms energy: -534.108172
where:
bonds (distance) C4'-P energy: -98.288
bonds (distance) P-C4' energy: -90.956
flat angles C4'-P-C4' energy: -128.164
flat angles P-C4'-P energy: -69.088
tors. eta vs tors. theta energy: -147.613
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: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1720.171441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.171441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.171441 (E_RNA)
where:
Base-Base interactions energy: -1197.449
where: short stacking energy: -520.651
Base-Backbone interact. energy: -1.590
local terms energy: -521.132036
where:
bonds (distance) C4'-P energy: -85.046
bonds (distance) P-C4' energy: -100.310
flat angles C4'-P-C4' energy: -120.588
flat angles P-C4'-P energy: -68.933
tors. eta vs tors. theta energy: -146.254
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: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1657.824779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.824779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.824779 (E_RNA)
where:
Base-Base interactions energy: -1195.762
where: short stacking energy: -467.413
Base-Backbone interact. energy: -1.530
local terms energy: -460.533021
where:
bonds (distance) C4'-P energy: -91.665
bonds (distance) P-C4' energy: -90.270
flat angles C4'-P-C4' energy: -92.475
flat angles P-C4'-P energy: -55.005
tors. eta vs tors. theta energy: -131.119
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: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1571.621372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.621372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.621372 (E_RNA)
where:
Base-Base interactions energy: -1100.035
where: short stacking energy: -457.721
Base-Backbone interact. energy: -0.953
local terms energy: -470.633494
where:
bonds (distance) C4'-P energy: -89.925
bonds (distance) P-C4' energy: -94.707
flat angles C4'-P-C4' energy: -100.602
flat angles P-C4'-P energy: -64.538
tors. eta vs tors. theta energy: -120.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1480.085685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.085685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.085685 (E_RNA)
where:
Base-Base interactions energy: -1066.457
where: short stacking energy: -426.256
Base-Backbone interact. energy: -0.220
local terms energy: -413.408135
where:
bonds (distance) C4'-P energy: -69.274
bonds (distance) P-C4' energy: -77.403
flat angles C4'-P-C4' energy: -102.839
flat angles P-C4'-P energy: -65.059
tors. eta vs tors. theta energy: -98.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1359.366333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.366333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.366333 (E_RNA)
where:
Base-Base interactions energy: -926.680
where: short stacking energy: -383.243
Base-Backbone interact. energy: -0.679
local terms energy: -432.007841
where:
bonds (distance) C4'-P energy: -81.315
bonds (distance) P-C4' energy: -92.884
flat angles C4'-P-C4' energy: -98.285
flat angles P-C4'-P energy: -61.567
tors. eta vs tors. theta energy: -97.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1124.124514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.124514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.124514 (E_RNA)
where:
Base-Base interactions energy: -749.807
where: short stacking energy: -305.020
Base-Backbone interact. energy: -1.703
local terms energy: -372.614423
where:
bonds (distance) C4'-P energy: -73.545
bonds (distance) P-C4' energy: -90.393
flat angles C4'-P-C4' energy: -91.368
flat angles P-C4'-P energy: -58.268
tors. eta vs tors. theta energy: -59.039
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: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -939.049697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.049697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.049697 (E_RNA)
where:
Base-Base interactions energy: -599.104
where: short stacking energy: -270.784
Base-Backbone interact. energy: 2.875
local terms energy: -342.820605
where:
bonds (distance) C4'-P energy: -84.172
bonds (distance) P-C4' energy: -93.575
flat angles C4'-P-C4' energy: -69.266
flat angles P-C4'-P energy: -40.957
tors. eta vs tors. theta energy: -54.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -564.550911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.550911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.550911 (E_RNA)
where:
Base-Base interactions energy: -267.011
where: short stacking energy: -151.200
Base-Backbone interact. energy: 4.445
local terms energy: -301.984661
where:
bonds (distance) C4'-P energy: -85.882
bonds (distance) P-C4' energy: -77.618
flat angles C4'-P-C4' energy: -84.225
flat angles P-C4'-P energy: -54.812
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1876.961437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.961437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.961437 (E_RNA)
where:
Base-Base interactions energy: -1331.114
where: short stacking energy: -545.259
Base-Backbone interact. energy: -2.811
local terms energy: -543.036728
where:
bonds (distance) C4'-P energy: -101.179
bonds (distance) P-C4' energy: -101.605
flat angles C4'-P-C4' energy: -111.321
flat angles P-C4'-P energy: -84.871
tors. eta vs tors. theta energy: -144.062
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: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1813.541329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.541329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.541329 (E_RNA)
where:
Base-Base interactions energy: -1299.268
where: short stacking energy: -508.215
Base-Backbone interact. energy: -3.675
local terms energy: -510.598287
where:
bonds (distance) C4'-P energy: -89.257
bonds (distance) P-C4' energy: -100.048
flat angles C4'-P-C4' energy: -109.329
flat angles P-C4'-P energy: -66.486
tors. eta vs tors. theta energy: -145.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1744.094093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.094093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.094093 (E_RNA)
where:
Base-Base interactions energy: -1216.027
where: short stacking energy: -521.681
Base-Backbone interact. energy: -0.409
local terms energy: -527.659027
where:
bonds (distance) C4'-P energy: -97.835
bonds (distance) P-C4' energy: -108.048
flat angles C4'-P-C4' energy: -104.760
flat angles P-C4'-P energy: -75.011
tors. eta vs tors. theta energy: -142.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1570.781322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.781322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.781322 (E_RNA)
where:
Base-Base interactions energy: -1097.246
where: short stacking energy: -453.552
Base-Backbone interact. energy: -0.956
local terms energy: -472.578906
where:
bonds (distance) C4'-P energy: -86.002
bonds (distance) P-C4' energy: -95.325
flat angles C4'-P-C4' energy: -107.463
flat angles P-C4'-P energy: -65.119
tors. eta vs tors. theta energy: -118.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1563.830477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.830477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.830477 (E_RNA)
where:
Base-Base interactions energy: -1111.981
where: short stacking energy: -437.097
Base-Backbone interact. energy: 1.933
local terms energy: -453.782382
where:
bonds (distance) C4'-P energy: -89.323
bonds (distance) P-C4' energy: -90.415
flat angles C4'-P-C4' energy: -94.274
flat angles P-C4'-P energy: -56.496
tors. eta vs tors. theta energy: -123.275
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: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1478.638896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.638896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.638896 (E_RNA)
where:
Base-Base interactions energy: -1020.568
where: short stacking energy: -436.191
Base-Backbone interact. energy: 0.327
local terms energy: -458.398409
where:
bonds (distance) C4'-P energy: -94.620
bonds (distance) P-C4' energy: -89.615
flat angles C4'-P-C4' energy: -96.892
flat angles P-C4'-P energy: -62.540
tors. eta vs tors. theta energy: -114.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1387.564872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.564872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.564872 (E_RNA)
where:
Base-Base interactions energy: -954.666
where: short stacking energy: -403.230
Base-Backbone interact. energy: -1.612
local terms energy: -431.286943
where:
bonds (distance) C4'-P energy: -81.794
bonds (distance) P-C4' energy: -106.974
flat angles C4'-P-C4' energy: -77.720
flat angles P-C4'-P energy: -58.403
tors. eta vs tors. theta energy: -106.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1106.166221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.166221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.166221 (E_RNA)
where:
Base-Base interactions energy: -755.655
where: short stacking energy: -317.403
Base-Backbone interact. energy: -0.826
local terms energy: -349.685380
where:
bonds (distance) C4'-P energy: -78.449
bonds (distance) P-C4' energy: -73.137
flat angles C4'-P-C4' energy: -97.659
flat angles P-C4'-P energy: -47.844
tors. eta vs tors. theta energy: -52.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -939.483459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.483459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.483459 (E_RNA)
where:
Base-Base interactions energy: -597.242
where: short stacking energy: -273.330
Base-Backbone interact. energy: 0.250
local terms energy: -342.491618
where:
bonds (distance) C4'-P energy: -72.760
bonds (distance) P-C4' energy: -96.643
flat angles C4'-P-C4' energy: -72.969
flat angles P-C4'-P energy: -43.575
tors. eta vs tors. theta energy: -56.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -551.855373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.855373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.855373 (E_RNA)
where:
Base-Base interactions energy: -263.383
where: short stacking energy: -156.406
Base-Backbone interact. energy: 1.040
local terms energy: -289.512939
where:
bonds (distance) C4'-P energy: -97.139
bonds (distance) P-C4' energy: -88.175
flat angles C4'-P-C4' energy: -70.473
flat angles P-C4'-P energy: -37.196
tors. eta vs tors. theta energy: 3.470
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: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1877.220595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.220595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.220595 (E_RNA)
where:
Base-Base interactions energy: -1334.691
where: short stacking energy: -525.148
Base-Backbone interact. energy: -2.644
local terms energy: -539.885412
where:
bonds (distance) C4'-P energy: -91.396
bonds (distance) P-C4' energy: -101.695
flat angles C4'-P-C4' energy: -119.372
flat angles P-C4'-P energy: -84.617
tors. eta vs tors. theta energy: -142.805
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: 422
Temperature: 0.950000
Total energy: -1791.257432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.257432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.257432 (E_RNA)
where:
Base-Base interactions energy: -1253.626
where: short stacking energy: -526.592
Base-Backbone interact. energy: -1.814
local terms energy: -535.817638
where:
bonds (distance) C4'-P energy: -78.418
bonds (distance) P-C4' energy: -113.156
flat angles C4'-P-C4' energy: -121.466
flat angles P-C4'-P energy: -74.779
tors. eta vs tors. theta energy: -147.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1691.741561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.741561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.741561 (E_RNA)
where:
Base-Base interactions energy: -1199.495
where: short stacking energy: -487.475
Base-Backbone interact. energy: -0.847
local terms energy: -491.399945
where:
bonds (distance) C4'-P energy: -86.567
bonds (distance) P-C4' energy: -95.489
flat angles C4'-P-C4' energy: -111.277
flat angles P-C4'-P energy: -66.697
tors. eta vs tors. theta energy: -131.370
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: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1575.849101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.849101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.849101 (E_RNA)
where:
Base-Base interactions energy: -1117.029
where: short stacking energy: -442.492
Base-Backbone interact. energy: -0.608
local terms energy: -458.212008
where:
bonds (distance) C4'-P energy: -90.705
bonds (distance) P-C4' energy: -97.473
flat angles C4'-P-C4' energy: -98.033
flat angles P-C4'-P energy: -64.374
tors. eta vs tors. theta energy: -107.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1507.648101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.648101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.648101 (E_RNA)
where:
Base-Base interactions energy: -1015.637
where: short stacking energy: -428.366
Base-Backbone interact. energy: -4.464
local terms energy: -487.547101
where:
bonds (distance) C4'-P energy: -90.618
bonds (distance) P-C4' energy: -97.156
flat angles C4'-P-C4' energy: -107.409
flat angles P-C4'-P energy: -81.133
tors. eta vs tors. theta energy: -111.232
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: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1571.550246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.550246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.550246 (E_RNA)
where:
Base-Base interactions energy: -1119.085
where: short stacking energy: -450.894
Base-Backbone interact. energy: 0.295
local terms energy: -452.760209
where:
bonds (distance) C4'-P energy: -91.314
bonds (distance) P-C4' energy: -96.590
flat angles C4'-P-C4' energy: -94.402
flat angles P-C4'-P energy: -56.732
tors. eta vs tors. theta energy: -113.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1422.631334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.631334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.631334 (E_RNA)
where:
Base-Base interactions energy: -981.756
where: short stacking energy: -422.732
Base-Backbone interact. energy: 0.189
local terms energy: -441.064685
where:
bonds (distance) C4'-P energy: -90.226
bonds (distance) P-C4' energy: -86.003
flat angles C4'-P-C4' energy: -88.808
flat angles P-C4'-P energy: -62.745
tors. eta vs tors. theta energy: -113.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1114.345134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.345134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.345134 (E_RNA)
where:
Base-Base interactions energy: -736.170
where: short stacking energy: -295.859
Base-Backbone interact. energy: -1.106
local terms energy: -377.069622
where:
bonds (distance) C4'-P energy: -88.574
bonds (distance) P-C4' energy: -81.543
flat angles C4'-P-C4' energy: -96.814
flat angles P-C4'-P energy: -45.789
tors. eta vs tors. theta energy: -64.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -910.202923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.202923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.202923 (E_RNA)
where:
Base-Base interactions energy: -567.968
where: short stacking energy: -251.764
Base-Backbone interact. energy: 2.053
local terms energy: -344.287673
where:
bonds (distance) C4'-P energy: -76.791
bonds (distance) P-C4' energy: -87.389
flat angles C4'-P-C4' energy: -76.693
flat angles P-C4'-P energy: -60.160
tors. eta vs tors. theta energy: -43.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -543.566556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.566556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.566556 (E_RNA)
where:
Base-Base interactions energy: -240.785
where: short stacking energy: -145.713
Base-Backbone interact. energy: -1.463
local terms energy: -301.318508
where:
bonds (distance) C4'-P energy: -77.814
bonds (distance) P-C4' energy: -85.609
flat angles C4'-P-C4' energy: -88.539
flat angles P-C4'-P energy: -51.091
tors. eta vs tors. theta energy: 1.735
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: 423
Temperature: 0.900000
Total energy: -1867.886474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.886474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.886474 (E_RNA)
where:
Base-Base interactions energy: -1314.664
where: short stacking energy: -524.831
Base-Backbone interact. energy: -5.670
local terms energy: -547.552911
where:
bonds (distance) C4'-P energy: -89.267
bonds (distance) P-C4' energy: -101.997
flat angles C4'-P-C4' energy: -122.453
flat angles P-C4'-P energy: -82.094
tors. eta vs tors. theta energy: -151.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1801.879975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.879975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.879975 (E_RNA)
where:
Base-Base interactions energy: -1263.029
where: short stacking energy: -522.965
Base-Backbone interact. energy: -4.045
local terms energy: -534.805880
where:
bonds (distance) C4'-P energy: -105.962
bonds (distance) P-C4' energy: -96.629
flat angles C4'-P-C4' energy: -118.354
flat angles P-C4'-P energy: -66.916
tors. eta vs tors. theta energy: -146.946
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: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1659.510747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.510747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.510747 (E_RNA)
where:
Base-Base interactions energy: -1166.145
where: short stacking energy: -488.072
Base-Backbone interact. energy: -1.427
local terms energy: -491.938804
where:
bonds (distance) C4'-P energy: -98.498
bonds (distance) P-C4' energy: -89.445
flat angles C4'-P-C4' energy: -109.280
flat angles P-C4'-P energy: -72.315
tors. eta vs tors. theta energy: -122.400
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: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1577.398140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.398140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.398140 (E_RNA)
where:
Base-Base interactions energy: -1098.550
where: short stacking energy: -432.228
Base-Backbone interact. energy: -2.392
local terms energy: -476.456774
where:
bonds (distance) C4'-P energy: -94.069
bonds (distance) P-C4' energy: -101.258
flat angles C4'-P-C4' energy: -109.565
flat angles P-C4'-P energy: -73.655
tors. eta vs tors. theta energy: -97.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1563.897096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.897096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.897096 (E_RNA)
where:
Base-Base interactions energy: -1078.328
where: short stacking energy: -465.353
Base-Backbone interact. energy: 0.389
local terms energy: -485.957587
where:
bonds (distance) C4'-P energy: -89.866
bonds (distance) P-C4' energy: -90.844
flat angles C4'-P-C4' energy: -99.877
flat angles P-C4'-P energy: -79.662
tors. eta vs tors. theta energy: -125.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1527.710203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.710203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.710203 (E_RNA)
where:
Base-Base interactions energy: -1080.564
where: short stacking energy: -417.378
Base-Backbone interact. energy: -3.066
local terms energy: -444.079911
where:
bonds (distance) C4'-P energy: -87.546
bonds (distance) P-C4' energy: -95.782
flat angles C4'-P-C4' energy: -94.848
flat angles P-C4'-P energy: -59.695
tors. eta vs tors. theta energy: -106.208
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: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1367.528717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.528717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.528717 (E_RNA)
where:
Base-Base interactions energy: -937.236
where: short stacking energy: -392.436
Base-Backbone interact. energy: 1.734
local terms energy: -432.026925
where:
bonds (distance) C4'-P energy: -90.505
bonds (distance) P-C4' energy: -96.224
flat angles C4'-P-C4' energy: -92.399
flat angles P-C4'-P energy: -56.182
tors. eta vs tors. theta energy: -96.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1176.554569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.554569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.554569 (E_RNA)
where:
Base-Base interactions energy: -794.500
where: short stacking energy: -370.983
Base-Backbone interact. energy: 2.904
local terms energy: -384.958498
where:
bonds (distance) C4'-P energy: -81.231
bonds (distance) P-C4' energy: -73.907
flat angles C4'-P-C4' energy: -97.736
flat angles P-C4'-P energy: -56.309
tors. eta vs tors. theta energy: -75.776
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: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -929.290414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.290414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.290414 (E_RNA)
where:
Base-Base interactions energy: -568.442
where: short stacking energy: -253.031
Base-Backbone interact. energy: 0.691
local terms energy: -361.539825
where:
bonds (distance) C4'-P energy: -82.732
bonds (distance) P-C4' energy: -89.909
flat angles C4'-P-C4' energy: -90.932
flat angles P-C4'-P energy: -58.813
tors. eta vs tors. theta energy: -39.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -584.195107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.195107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.195107 (E_RNA)
where:
Base-Base interactions energy: -299.506
where: short stacking energy: -175.782
Base-Backbone interact. energy: -1.590
local terms energy: -283.099726
where:
bonds (distance) C4'-P energy: -86.356
bonds (distance) P-C4' energy: -88.126
flat angles C4'-P-C4' energy: -63.489
flat angles P-C4'-P energy: -36.690
tors. eta vs tors. theta energy: -8.440
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: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1881.065342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.065342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.065342 (E_RNA)
where:
Base-Base interactions energy: -1320.012
where: short stacking energy: -537.136
Base-Backbone interact. energy: -2.109
local terms energy: -558.943885
where:
bonds (distance) C4'-P energy: -111.718
bonds (distance) P-C4' energy: -100.364
flat angles C4'-P-C4' energy: -120.202
flat angles P-C4'-P energy: -84.666
tors. eta vs tors. theta energy: -141.993
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: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1784.901154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.901154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.901154 (E_RNA)
where:
Base-Base interactions energy: -1256.695
where: short stacking energy: -514.110
Base-Backbone interact. energy: -4.425
local terms energy: -523.781953
where:
bonds (distance) C4'-P energy: -102.767
bonds (distance) P-C4' energy: -97.592
flat angles C4'-P-C4' energy: -116.663
flat angles P-C4'-P energy: -70.163
tors. eta vs tors. theta energy: -136.597
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: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1671.701382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.701382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.701382 (E_RNA)
where:
Base-Base interactions energy: -1164.333
where: short stacking energy: -483.917
Base-Backbone interact. energy: -1.338
local terms energy: -506.030246
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -103.986
flat angles C4'-P-C4' energy: -101.716
flat angles P-C4'-P energy: -60.522
tors. eta vs tors. theta energy: -139.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1557.058351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.058351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.058351 (E_RNA)
where:
Base-Base interactions energy: -1100.792
where: short stacking energy: -417.659
Base-Backbone interact. energy: 4.819
local terms energy: -461.084955
where:
bonds (distance) C4'-P energy: -89.596
bonds (distance) P-C4' energy: -93.999
flat angles C4'-P-C4' energy: -100.458
flat angles P-C4'-P energy: -85.250
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1531.321450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.321450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.321450 (E_RNA)
where:
Base-Base interactions energy: -1055.766
where: short stacking energy: -449.854
Base-Backbone interact. energy: 0.998
local terms energy: -476.553406
where:
bonds (distance) C4'-P energy: -89.876
bonds (distance) P-C4' energy: -100.228
flat angles C4'-P-C4' energy: -103.551
flat angles P-C4'-P energy: -74.947
tors. eta vs tors. theta energy: -107.951
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: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1562.815828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.815828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.815828 (E_RNA)
where:
Base-Base interactions energy: -1091.775
where: short stacking energy: -457.001
Base-Backbone interact. energy: 1.246
local terms energy: -472.287067
where:
bonds (distance) C4'-P energy: -82.699
bonds (distance) P-C4' energy: -87.840
flat angles C4'-P-C4' energy: -110.640
flat angles P-C4'-P energy: -67.529
tors. eta vs tors. theta energy: -123.579
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: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1409.399075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.399075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.399075 (E_RNA)
where:
Base-Base interactions energy: -994.215
where: short stacking energy: -404.529
Base-Backbone interact. energy: -1.572
local terms energy: -413.611915
where:
bonds (distance) C4'-P energy: -88.968
bonds (distance) P-C4' energy: -66.334
flat angles C4'-P-C4' energy: -91.976
flat angles P-C4'-P energy: -69.100
tors. eta vs tors. theta energy: -97.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1164.105370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.105370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.105370 (E_RNA)
where:
Base-Base interactions energy: -793.972
where: short stacking energy: -328.183
Base-Backbone interact. energy: -3.265
local terms energy: -366.868018
where:
bonds (distance) C4'-P energy: -70.952
bonds (distance) P-C4' energy: -80.561
flat angles C4'-P-C4' energy: -104.538
flat angles P-C4'-P energy: -46.135
tors. eta vs tors. theta energy: -64.682
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: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -924.807558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.807558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.807558 (E_RNA)
where:
Base-Base interactions energy: -583.545
where: short stacking energy: -275.878
Base-Backbone interact. energy: -1.594
local terms energy: -339.669299
where:
bonds (distance) C4'-P energy: -79.398
bonds (distance) P-C4' energy: -87.716
flat angles C4'-P-C4' energy: -82.285
flat angles P-C4'-P energy: -51.049
tors. eta vs tors. theta energy: -39.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -561.719724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.719724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.719724 (E_RNA)
where:
Base-Base interactions energy: -296.483
where: short stacking energy: -166.423
Base-Backbone interact. energy: -0.811
local terms energy: -264.425299
where:
bonds (distance) C4'-P energy: -88.659
bonds (distance) P-C4' energy: -76.772
flat angles C4'-P-C4' energy: -52.465
flat angles P-C4'-P energy: -38.296
tors. eta vs tors. theta energy: -8.233
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: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1878.572501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.572501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.572501 (E_RNA)
where:
Base-Base interactions energy: -1319.420
where: short stacking energy: -520.269
Base-Backbone interact. energy: -2.260
local terms energy: -556.892663
where:
bonds (distance) C4'-P energy: -101.029
bonds (distance) P-C4' energy: -108.906
flat angles C4'-P-C4' energy: -122.343
flat angles P-C4'-P energy: -79.168
tors. eta vs tors. theta energy: -145.447
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: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1785.535794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.535794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.535794 (E_RNA)
where:
Base-Base interactions energy: -1222.253
where: short stacking energy: -506.069
Base-Backbone interact. energy: -1.521
local terms energy: -561.761937
where:
bonds (distance) C4'-P energy: -116.376
bonds (distance) P-C4' energy: -104.034
flat angles C4'-P-C4' energy: -120.130
flat angles P-C4'-P energy: -77.018
tors. eta vs tors. theta energy: -144.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1700.329674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.329674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.329674 (E_RNA)
where:
Base-Base interactions energy: -1199.795
where: short stacking energy: -500.371
Base-Backbone interact. energy: -1.800
local terms energy: -498.735514
where:
bonds (distance) C4'-P energy: -85.666
bonds (distance) P-C4' energy: -99.063
flat angles C4'-P-C4' energy: -101.844
flat angles P-C4'-P energy: -73.501
tors. eta vs tors. theta energy: -138.662
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: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1577.914976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.914976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.914976 (E_RNA)
where:
Base-Base interactions energy: -1109.029
where: short stacking energy: -424.316
Base-Backbone interact. energy: -1.308
local terms energy: -467.578062
where:
bonds (distance) C4'-P energy: -99.973
bonds (distance) P-C4' energy: -107.317
flat angles C4'-P-C4' energy: -97.487
flat angles P-C4'-P energy: -64.388
tors. eta vs tors. theta energy: -98.414
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: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1575.305799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.305799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.305799 (E_RNA)
where:
Base-Base interactions energy: -1096.471
where: short stacking energy: -470.303
Base-Backbone interact. energy: -0.424
local terms energy: -478.410076
where:
bonds (distance) C4'-P energy: -81.306
bonds (distance) P-C4' energy: -99.596
flat angles C4'-P-C4' energy: -111.051
flat angles P-C4'-P energy: -65.879
tors. eta vs tors. theta energy: -120.578
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: 2
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1539.327888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.327888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.327888 (E_RNA)
where:
Base-Base interactions energy: -1106.610
where: short stacking energy: -422.611
Base-Backbone interact. energy: 10.891
local terms energy: -443.608773
where:
bonds (distance) C4'-P energy: -83.212
bonds (distance) P-C4' energy: -82.815
flat angles C4'-P-C4' energy: -98.970
flat angles P-C4'-P energy: -55.537
tors. eta vs tors. theta energy: -123.075
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: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1368.048053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.048053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.048053 (E_RNA)
where:
Base-Base interactions energy: -916.042
where: short stacking energy: -394.650
Base-Backbone interact. energy: -0.408
local terms energy: -451.597742
where:
bonds (distance) C4'-P energy: -90.449
bonds (distance) P-C4' energy: -93.311
flat angles C4'-P-C4' energy: -107.237
flat angles P-C4'-P energy: -60.858
tors. eta vs tors. theta energy: -99.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1191.258485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.258485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.258485 (E_RNA)
where:
Base-Base interactions energy: -807.298
where: short stacking energy: -342.521
Base-Backbone interact. energy: -2.353
local terms energy: -381.606955
where:
bonds (distance) C4'-P energy: -76.204
bonds (distance) P-C4' energy: -90.239
flat angles C4'-P-C4' energy: -83.036
flat angles P-C4'-P energy: -60.719
tors. eta vs tors. theta energy: -71.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -897.065213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.065213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.065213 (E_RNA)
where:
Base-Base interactions energy: -589.170
where: short stacking energy: -277.528
Base-Backbone interact. energy: 4.908
local terms energy: -312.802673
where:
bonds (distance) C4'-P energy: -72.407
bonds (distance) P-C4' energy: -86.784
flat angles C4'-P-C4' energy: -66.980
flat angles P-C4'-P energy: -39.434
tors. eta vs tors. theta energy: -47.198
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: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -549.395982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.395982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.395982 (E_RNA)
where:
Base-Base interactions energy: -287.408
where: short stacking energy: -164.691
Base-Backbone interact. energy: -0.775
local terms energy: -261.213264
where:
bonds (distance) C4'-P energy: -76.399
bonds (distance) P-C4' energy: -86.636
flat angles C4'-P-C4' energy: -73.920
flat angles P-C4'-P energy: -35.969
tors. eta vs tors. theta energy: 11.710
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: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1848.694523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.694523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.694523 (E_RNA)
where:
Base-Base interactions energy: -1294.689
where: short stacking energy: -507.939
Base-Backbone interact. energy: -2.520
local terms energy: -551.485409
where:
bonds (distance) C4'-P energy: -101.721
bonds (distance) P-C4' energy: -109.190
flat angles C4'-P-C4' energy: -113.547
flat angles P-C4'-P energy: -83.348
tors. eta vs tors. theta energy: -143.679
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: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1822.940272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.940272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.940272 (E_RNA)
where:
Base-Base interactions energy: -1282.754
where: short stacking energy: -513.715
Base-Backbone interact. energy: -7.615
local terms energy: -532.571899
where:
bonds (distance) C4'-P energy: -102.524
bonds (distance) P-C4' energy: -93.571
flat angles C4'-P-C4' energy: -115.918
flat angles P-C4'-P energy: -73.842
tors. eta vs tors. theta energy: -146.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1704.937288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.937288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.937288 (E_RNA)
where:
Base-Base interactions energy: -1199.375
where: short stacking energy: -483.914
Base-Backbone interact. energy: 1.892
local terms energy: -507.453809
where:
bonds (distance) C4'-P energy: -96.203
bonds (distance) P-C4' energy: -89.752
flat angles C4'-P-C4' energy: -113.148
flat angles P-C4'-P energy: -69.516
tors. eta vs tors. theta energy: -138.835
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: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1565.010588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.010588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.010588 (E_RNA)
where:
Base-Base interactions energy: -1108.015
where: short stacking energy: -414.049
Base-Backbone interact. energy: -1.075
local terms energy: -455.920685
where:
bonds (distance) C4'-P energy: -91.783
bonds (distance) P-C4' energy: -95.519
flat angles C4'-P-C4' energy: -102.414
flat angles P-C4'-P energy: -66.940
tors. eta vs tors. theta energy: -99.265
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: 426
Temperature: 1.100000
Total energy: -1547.389643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.389643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.389643 (E_RNA)
where:
Base-Base interactions energy: -1104.857
where: short stacking energy: -455.248
Base-Backbone interact. energy: -1.153
local terms energy: -441.379581
where:
bonds (distance) C4'-P energy: -75.574
bonds (distance) P-C4' energy: -85.935
flat angles C4'-P-C4' energy: -110.778
flat angles P-C4'-P energy: -56.675
tors. eta vs tors. theta energy: -112.416
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: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1489.727724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.727724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.727724 (E_RNA)
where:
Base-Base interactions energy: -1039.184
where: short stacking energy: -398.744
Base-Backbone interact. energy: -2.338
local terms energy: -448.206547
where:
bonds (distance) C4'-P energy: -72.613
bonds (distance) P-C4' energy: -101.614
flat angles C4'-P-C4' energy: -104.111
flat angles P-C4'-P energy: -57.908
tors. eta vs tors. theta energy: -111.959
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: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1358.562488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.562488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.562488 (E_RNA)
where:
Base-Base interactions energy: -928.708
where: short stacking energy: -380.111
Base-Backbone interact. energy: -0.944
local terms energy: -428.910326
where:
bonds (distance) C4'-P energy: -91.303
bonds (distance) P-C4' energy: -92.675
flat angles C4'-P-C4' energy: -99.807
flat angles P-C4'-P energy: -53.193
tors. eta vs tors. theta energy: -91.932
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: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1180.890795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.890795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.890795 (E_RNA)
where:
Base-Base interactions energy: -780.346
where: short stacking energy: -351.545
Base-Backbone interact. energy: 0.783
local terms energy: -401.328689
where:
bonds (distance) C4'-P energy: -89.818
bonds (distance) P-C4' energy: -79.784
flat angles C4'-P-C4' energy: -96.457
flat angles P-C4'-P energy: -54.484
tors. eta vs tors. theta energy: -80.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -959.242342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.242342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.242342 (E_RNA)
where:
Base-Base interactions energy: -598.548
where: short stacking energy: -285.810
Base-Backbone interact. energy: -0.864
local terms energy: -359.830524
where:
bonds (distance) C4'-P energy: -89.733
bonds (distance) P-C4' energy: -79.332
flat angles C4'-P-C4' energy: -87.140
flat angles P-C4'-P energy: -55.230
tors. eta vs tors. theta energy: -48.396
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: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -570.014303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.014303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.014303 (E_RNA)
where:
Base-Base interactions energy: -262.252
where: short stacking energy: -148.807
Base-Backbone interact. energy: -0.649
local terms energy: -307.112848
where:
bonds (distance) C4'-P energy: -87.728
bonds (distance) P-C4' energy: -83.567
flat angles C4'-P-C4' energy: -76.986
flat angles P-C4'-P energy: -53.848
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1828.726519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.726519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.726519 (E_RNA)
where:
Base-Base interactions energy: -1301.816
where: short stacking energy: -483.906
Base-Backbone interact. energy: -4.392
local terms energy: -522.518522
where:
bonds (distance) C4'-P energy: -92.190
bonds (distance) P-C4' energy: -107.552
flat angles C4'-P-C4' energy: -118.898
flat angles P-C4'-P energy: -77.910
tors. eta vs tors. theta energy: -125.968
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: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1800.416168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.416168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.416168 (E_RNA)
where:
Base-Base interactions energy: -1287.515
where: short stacking energy: -526.604
Base-Backbone interact. energy: -5.085
local terms energy: -507.815803
where:
bonds (distance) C4'-P energy: -83.912
bonds (distance) P-C4' energy: -102.139
flat angles C4'-P-C4' energy: -117.650
flat angles P-C4'-P energy: -67.620
tors. eta vs tors. theta energy: -136.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1680.912727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.912727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.912727 (E_RNA)
where:
Base-Base interactions energy: -1154.058
where: short stacking energy: -477.960
Base-Backbone interact. energy: -0.666
local terms energy: -526.189005
where:
bonds (distance) C4'-P energy: -109.739
bonds (distance) P-C4' energy: -112.436
flat angles C4'-P-C4' energy: -104.235
flat angles P-C4'-P energy: -71.563
tors. eta vs tors. theta energy: -128.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1564.736571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.736571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.736571 (E_RNA)
where:
Base-Base interactions energy: -1081.037
where: short stacking energy: -437.626
Base-Backbone interact. energy: -1.245
local terms energy: -482.455084
where:
bonds (distance) C4'-P energy: -86.266
bonds (distance) P-C4' energy: -116.567
flat angles C4'-P-C4' energy: -99.939
flat angles P-C4'-P energy: -69.143
tors. eta vs tors. theta energy: -110.540
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: 427
Temperature: 1.100000
Total energy: -1537.197942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.197942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.197942 (E_RNA)
where:
Base-Base interactions energy: -1071.282
where: short stacking energy: -439.799
Base-Backbone interact. energy: 0.790
local terms energy: -466.705966
where:
bonds (distance) C4'-P energy: -81.715
bonds (distance) P-C4' energy: -100.892
flat angles C4'-P-C4' energy: -101.109
flat angles P-C4'-P energy: -70.150
tors. eta vs tors. theta energy: -112.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1542.069031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.069031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.069031 (E_RNA)
where:
Base-Base interactions energy: -1107.308
where: short stacking energy: -451.705
Base-Backbone interact. energy: 4.039
local terms energy: -438.800370
where:
bonds (distance) C4'-P energy: -87.275
bonds (distance) P-C4' energy: -77.830
flat angles C4'-P-C4' energy: -88.237
flat angles P-C4'-P energy: -66.014
tors. eta vs tors. theta energy: -119.445
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: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1302.720388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.720388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.720388 (E_RNA)
where:
Base-Base interactions energy: -890.217
where: short stacking energy: -372.971
Base-Backbone interact. energy: -2.729
local terms energy: -409.774253
where:
bonds (distance) C4'-P energy: -84.518
bonds (distance) P-C4' energy: -90.604
flat angles C4'-P-C4' energy: -100.780
flat angles P-C4'-P energy: -52.659
tors. eta vs tors. theta energy: -81.213
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: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1178.186732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.186732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.186732 (E_RNA)
where:
Base-Base interactions energy: -788.309
where: short stacking energy: -335.244
Base-Backbone interact. energy: -1.327
local terms energy: -388.550533
where:
bonds (distance) C4'-P energy: -94.346
bonds (distance) P-C4' energy: -82.407
flat angles C4'-P-C4' energy: -95.607
flat angles P-C4'-P energy: -57.262
tors. eta vs tors. theta energy: -58.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -948.546611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.546611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.546611 (E_RNA)
where:
Base-Base interactions energy: -599.758
where: short stacking energy: -267.401
Base-Backbone interact. energy: 4.290
local terms energy: -353.078912
where:
bonds (distance) C4'-P energy: -96.440
bonds (distance) P-C4' energy: -96.413
flat angles C4'-P-C4' energy: -75.830
flat angles P-C4'-P energy: -38.705
tors. eta vs tors. theta energy: -45.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -544.742592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.742592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.742592 (E_RNA)
where:
Base-Base interactions energy: -267.199
where: short stacking energy: -153.450
Base-Backbone interact. energy: 0.192
local terms energy: -277.735535
where:
bonds (distance) C4'-P energy: -75.630
bonds (distance) P-C4' energy: -73.992
flat angles C4'-P-C4' energy: -71.786
flat angles P-C4'-P energy: -55.557
tors. eta vs tors. theta energy: -0.771
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: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1850.335482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.335482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.335482 (E_RNA)
where:
Base-Base interactions energy: -1303.994
where: short stacking energy: -527.333
Base-Backbone interact. energy: -4.326
local terms energy: -542.015617
where:
bonds (distance) C4'-P energy: -97.586
bonds (distance) P-C4' energy: -93.977
flat angles C4'-P-C4' energy: -125.445
flat angles P-C4'-P energy: -85.080
tors. eta vs tors. theta energy: -139.928
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: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1806.462243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.462243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.462243 (E_RNA)
where:
Base-Base interactions energy: -1286.540
where: short stacking energy: -509.115
Base-Backbone interact. energy: -1.905
local terms energy: -518.017291
where:
bonds (distance) C4'-P energy: -94.422
bonds (distance) P-C4' energy: -107.260
flat angles C4'-P-C4' energy: -107.269
flat angles P-C4'-P energy: -70.615
tors. eta vs tors. theta energy: -138.452
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: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1689.141158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.141158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.141158 (E_RNA)
where:
Base-Base interactions energy: -1185.096
where: short stacking energy: -493.844
Base-Backbone interact. energy: 1.945
local terms energy: -505.989907
where:
bonds (distance) C4'-P energy: -98.632
bonds (distance) P-C4' energy: -76.491
flat angles C4'-P-C4' energy: -113.785
flat angles P-C4'-P energy: -72.663
tors. eta vs tors. theta energy: -144.420
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: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1550.512235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.512235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.512235 (E_RNA)
where:
Base-Base interactions energy: -1090.792
where: short stacking energy: -430.251
Base-Backbone interact. energy: 2.042
local terms energy: -461.762242
where:
bonds (distance) C4'-P energy: -89.323
bonds (distance) P-C4' energy: -104.966
flat angles C4'-P-C4' energy: -101.617
flat angles P-C4'-P energy: -69.013
tors. eta vs tors. theta energy: -96.844
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: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1541.239432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.239432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.239432 (E_RNA)
where:
Base-Base interactions energy: -1060.657
where: short stacking energy: -445.911
Base-Backbone interact. energy: -2.797
local terms energy: -477.785720
where:
bonds (distance) C4'-P energy: -92.711
bonds (distance) P-C4' energy: -97.690
flat angles C4'-P-C4' energy: -112.850
flat angles P-C4'-P energy: -57.626
tors. eta vs tors. theta energy: -116.909
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: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1523.951391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.951391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.951391 (E_RNA)
where:
Base-Base interactions energy: -1074.228
where: short stacking energy: -427.156
Base-Backbone interact. energy: 0.541
local terms energy: -450.264982
where:
bonds (distance) C4'-P energy: -87.877
bonds (distance) P-C4' energy: -92.460
flat angles C4'-P-C4' energy: -94.756
flat angles P-C4'-P energy: -64.007
tors. eta vs tors. theta energy: -111.165
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: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1349.222157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.222157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.222157 (E_RNA)
where:
Base-Base interactions energy: -918.950
where: short stacking energy: -373.168
Base-Backbone interact. energy: -3.489
local terms energy: -426.782994
where:
bonds (distance) C4'-P energy: -89.403
bonds (distance) P-C4' energy: -96.590
flat angles C4'-P-C4' energy: -91.382
flat angles P-C4'-P energy: -63.618
tors. eta vs tors. theta energy: -85.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1128.856953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.856953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.856953 (E_RNA)
where:
Base-Base interactions energy: -764.151
where: short stacking energy: -337.277
Base-Backbone interact. energy: -3.312
local terms energy: -361.393918
where:
bonds (distance) C4'-P energy: -65.642
bonds (distance) P-C4' energy: -79.795
flat angles C4'-P-C4' energy: -89.287
flat angles P-C4'-P energy: -62.812
tors. eta vs tors. theta energy: -63.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -916.733111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.733111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.733111 (E_RNA)
where:
Base-Base interactions energy: -596.442
where: short stacking energy: -277.073
Base-Backbone interact. energy: 3.492
local terms energy: -323.782874
where:
bonds (distance) C4'-P energy: -69.929
bonds (distance) P-C4' energy: -88.003
flat angles C4'-P-C4' energy: -93.141
flat angles P-C4'-P energy: -34.603
tors. eta vs tors. theta energy: -38.106
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: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -601.187369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.187369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.187369 (E_RNA)
where:
Base-Base interactions energy: -297.775
where: short stacking energy: -149.800
Base-Backbone interact. energy: 0.090
local terms energy: -303.502375
where:
bonds (distance) C4'-P energy: -81.974
bonds (distance) P-C4' energy: -82.521
flat angles C4'-P-C4' energy: -86.515
flat angles P-C4'-P energy: -45.607
tors. eta vs tors. theta energy: -6.885
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: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1851.252257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.252257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.252257 (E_RNA)
where:
Base-Base interactions energy: -1312.015
where: short stacking energy: -523.136
Base-Backbone interact. energy: -1.957
local terms energy: -537.280237
where:
bonds (distance) C4'-P energy: -98.093
bonds (distance) P-C4' energy: -101.685
flat angles C4'-P-C4' energy: -116.503
flat angles P-C4'-P energy: -75.457
tors. eta vs tors. theta energy: -145.543
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: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1808.687918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.687918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.687918 (E_RNA)
where:
Base-Base interactions energy: -1281.583
where: short stacking energy: -492.260
Base-Backbone interact. energy: 0.266
local terms energy: -527.371065
where:
bonds (distance) C4'-P energy: -101.022
bonds (distance) P-C4' energy: -101.415
flat angles C4'-P-C4' energy: -116.987
flat angles P-C4'-P energy: -82.426
tors. eta vs tors. theta energy: -125.520
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: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1705.512685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.512685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.512685 (E_RNA)
where:
Base-Base interactions energy: -1208.202
where: short stacking energy: -504.091
Base-Backbone interact. energy: -0.213
local terms energy: -497.097464
where:
bonds (distance) C4'-P energy: -84.258
bonds (distance) P-C4' energy: -97.829
flat angles C4'-P-C4' energy: -111.241
flat angles P-C4'-P energy: -69.695
tors. eta vs tors. theta energy: -134.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1589.055505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.055505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.055505 (E_RNA)
where:
Base-Base interactions energy: -1112.835
where: short stacking energy: -478.039
Base-Backbone interact. energy: -0.991
local terms energy: -475.229019
where:
bonds (distance) C4'-P energy: -89.874
bonds (distance) P-C4' energy: -78.272
flat angles C4'-P-C4' energy: -104.871
flat angles P-C4'-P energy: -81.380
tors. eta vs tors. theta energy: -120.832
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: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1560.768506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.768506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.768506 (E_RNA)
where:
Base-Base interactions energy: -1090.540
where: short stacking energy: -443.394
Base-Backbone interact. energy: -0.857
local terms energy: -469.371158
where:
bonds (distance) C4'-P energy: -86.705
bonds (distance) P-C4' energy: -90.619
flat angles C4'-P-C4' energy: -103.189
flat angles P-C4'-P energy: -70.589
tors. eta vs tors. theta energy: -118.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1475.432321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.432321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.432321 (E_RNA)
where:
Base-Base interactions energy: -1042.778
where: short stacking energy: -426.311
Base-Backbone interact. energy: -3.934
local terms energy: -428.719901
where:
bonds (distance) C4'-P energy: -91.835
bonds (distance) P-C4' energy: -79.995
flat angles C4'-P-C4' energy: -96.736
flat angles P-C4'-P energy: -56.702
tors. eta vs tors. theta energy: -103.452
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: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1375.933603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.933603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.933603 (E_RNA)
where:
Base-Base interactions energy: -922.340
where: short stacking energy: -375.939
Base-Backbone interact. energy: -4.696
local terms energy: -448.897484
where:
bonds (distance) C4'-P energy: -84.943
bonds (distance) P-C4' energy: -98.834
flat angles C4'-P-C4' energy: -104.598
flat angles P-C4'-P energy: -65.424
tors. eta vs tors. theta energy: -95.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1141.711472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.711472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.711472 (E_RNA)
where:
Base-Base interactions energy: -758.452
where: short stacking energy: -304.536
Base-Backbone interact. energy: -2.692
local terms energy: -380.567822
where:
bonds (distance) C4'-P energy: -83.383
bonds (distance) P-C4' energy: -90.400
flat angles C4'-P-C4' energy: -91.800
flat angles P-C4'-P energy: -61.134
tors. eta vs tors. theta energy: -53.850
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: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -971.151090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.151090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.151090 (E_RNA)
where:
Base-Base interactions energy: -597.524
where: short stacking energy: -271.000
Base-Backbone interact. energy: -0.235
local terms energy: -373.391523
where:
bonds (distance) C4'-P energy: -79.485
bonds (distance) P-C4' energy: -80.235
flat angles C4'-P-C4' energy: -105.902
flat angles P-C4'-P energy: -50.840
tors. eta vs tors. theta energy: -56.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -616.494007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.494007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.494007 (E_RNA)
where:
Base-Base interactions energy: -329.992
where: short stacking energy: -175.281
Base-Backbone interact. energy: 2.490
local terms energy: -288.991307
where:
bonds (distance) C4'-P energy: -74.048
bonds (distance) P-C4' energy: -92.723
flat angles C4'-P-C4' energy: -67.951
flat angles P-C4'-P energy: -37.716
tors. eta vs tors. theta energy: -16.553
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: 430
Temperature: 0.900000
Total energy: -1842.244882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.244882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.244882 (E_RNA)
where:
Base-Base interactions energy: -1284.770
where: short stacking energy: -528.892
Base-Backbone interact. energy: 0.226
local terms energy: -557.700333
where:
bonds (distance) C4'-P energy: -105.648
bonds (distance) P-C4' energy: -103.835
flat angles C4'-P-C4' energy: -129.254
flat angles P-C4'-P energy: -75.437
tors. eta vs tors. theta energy: -143.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1784.367977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.367977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.367977 (E_RNA)
where:
Base-Base interactions energy: -1263.287
where: short stacking energy: -493.239
Base-Backbone interact. energy: -4.436
local terms energy: -516.644963
where:
bonds (distance) C4'-P energy: -99.338
bonds (distance) P-C4' energy: -104.071
flat angles C4'-P-C4' energy: -113.906
flat angles P-C4'-P energy: -65.475
tors. eta vs tors. theta energy: -133.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1635.594066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.594066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.594066 (E_RNA)
where:
Base-Base interactions energy: -1122.473
where: short stacking energy: -483.645
Base-Backbone interact. energy: -1.542
local terms energy: -511.578749
where:
bonds (distance) C4'-P energy: -87.944
bonds (distance) P-C4' energy: -101.162
flat angles C4'-P-C4' energy: -111.386
flat angles P-C4'-P energy: -73.859
tors. eta vs tors. theta energy: -137.229
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: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1678.991068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.991068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.991068 (E_RNA)
where:
Base-Base interactions energy: -1173.066
where: short stacking energy: -502.786
Base-Backbone interact. energy: 0.825
local terms energy: -506.749562
where:
bonds (distance) C4'-P energy: -89.097
bonds (distance) P-C4' energy: -96.204
flat angles C4'-P-C4' energy: -120.316
flat angles P-C4'-P energy: -64.044
tors. eta vs tors. theta energy: -137.088
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: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1529.170109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.170109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.170109 (E_RNA)
where:
Base-Base interactions energy: -1061.985
where: short stacking energy: -438.347
Base-Backbone interact. energy: -3.572
local terms energy: -463.613017
where:
bonds (distance) C4'-P energy: -84.977
bonds (distance) P-C4' energy: -98.354
flat angles C4'-P-C4' energy: -106.496
flat angles P-C4'-P energy: -56.300
tors. eta vs tors. theta energy: -117.487
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: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1513.217903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.217903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.217903 (E_RNA)
where:
Base-Base interactions energy: -1077.293
where: short stacking energy: -426.815
Base-Backbone interact. energy: 0.356
local terms energy: -436.280982
where:
bonds (distance) C4'-P energy: -84.395
bonds (distance) P-C4' energy: -87.412
flat angles C4'-P-C4' energy: -93.583
flat angles P-C4'-P energy: -60.498
tors. eta vs tors. theta energy: -110.393
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: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1338.788265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.788265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.788265 (E_RNA)
where:
Base-Base interactions energy: -910.694
where: short stacking energy: -398.434
Base-Backbone interact. energy: 2.433
local terms energy: -430.527356
where:
bonds (distance) C4'-P energy: -83.066
bonds (distance) P-C4' energy: -92.436
flat angles C4'-P-C4' energy: -107.797
flat angles P-C4'-P energy: -54.583
tors. eta vs tors. theta energy: -92.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1189.002135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.002135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.002135 (E_RNA)
where:
Base-Base interactions energy: -815.311
where: short stacking energy: -372.191
Base-Backbone interact. energy: -0.614
local terms energy: -373.077355
where:
bonds (distance) C4'-P energy: -76.585
bonds (distance) P-C4' energy: -75.954
flat angles C4'-P-C4' energy: -102.021
flat angles P-C4'-P energy: -46.818
tors. eta vs tors. theta energy: -71.699
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: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -981.819775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.819775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.819775 (E_RNA)
where:
Base-Base interactions energy: -628.959
where: short stacking energy: -276.711
Base-Backbone interact. energy: -0.759
local terms energy: -352.102014
where:
bonds (distance) C4'-P energy: -81.152
bonds (distance) P-C4' energy: -76.402
flat angles C4'-P-C4' energy: -103.622
flat angles P-C4'-P energy: -35.623
tors. eta vs tors. theta energy: -55.303
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: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -635.732309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.732309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.732309 (E_RNA)
where:
Base-Base interactions energy: -331.827
where: short stacking energy: -199.723
Base-Backbone interact. energy: 1.288
local terms energy: -305.193527
where:
bonds (distance) C4'-P energy: -84.414
bonds (distance) P-C4' energy: -89.882
flat angles C4'-P-C4' energy: -79.160
flat angles P-C4'-P energy: -42.498
tors. eta vs tors. theta energy: -9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1850.407057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.407057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.407057 (E_RNA)
where:
Base-Base interactions energy: -1320.579
where: short stacking energy: -534.189
Base-Backbone interact. energy: -1.439
local terms energy: -528.389528
where:
bonds (distance) C4'-P energy: -87.241
bonds (distance) P-C4' energy: -112.363
flat angles C4'-P-C4' energy: -108.139
flat angles P-C4'-P energy: -74.119
tors. eta vs tors. theta energy: -146.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1800.852609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.852609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.852609 (E_RNA)
where:
Base-Base interactions energy: -1267.969
where: short stacking energy: -487.872
Base-Backbone interact. energy: -1.103
local terms energy: -531.781121
where:
bonds (distance) C4'-P energy: -99.693
bonds (distance) P-C4' energy: -95.083
flat angles C4'-P-C4' energy: -119.738
flat angles P-C4'-P energy: -78.650
tors. eta vs tors. theta energy: -138.617
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: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1646.854243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.854243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.854243 (E_RNA)
where:
Base-Base interactions energy: -1146.464
where: short stacking energy: -457.738
Base-Backbone interact. energy: 0.698
local terms energy: -501.087694
where:
bonds (distance) C4'-P energy: -98.669
bonds (distance) P-C4' energy: -106.685
flat angles C4'-P-C4' energy: -105.080
flat angles P-C4'-P energy: -67.316
tors. eta vs tors. theta energy: -123.338
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: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1656.454127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.454127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.454127 (E_RNA)
where:
Base-Base interactions energy: -1138.767
where: short stacking energy: -469.141
Base-Backbone interact. energy: -0.359
local terms energy: -517.328404
where:
bonds (distance) C4'-P energy: -92.112
bonds (distance) P-C4' energy: -106.519
flat angles C4'-P-C4' energy: -108.882
flat angles P-C4'-P energy: -70.471
tors. eta vs tors. theta energy: -139.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1549.757412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.757412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.757412 (E_RNA)
where:
Base-Base interactions energy: -1095.514
where: short stacking energy: -456.351
Base-Backbone interact. energy: 2.115
local terms energy: -456.358700
where:
bonds (distance) C4'-P energy: -81.561
bonds (distance) P-C4' energy: -97.573
flat angles C4'-P-C4' energy: -97.684
flat angles P-C4'-P energy: -62.876
tors. eta vs tors. theta energy: -116.664
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: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1519.293328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.293328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.293328 (E_RNA)
where:
Base-Base interactions energy: -1062.051
where: short stacking energy: -419.809
Base-Backbone interact. energy: -5.318
local terms energy: -451.924688
where:
bonds (distance) C4'-P energy: -77.006
bonds (distance) P-C4' energy: -95.335
flat angles C4'-P-C4' energy: -106.178
flat angles P-C4'-P energy: -64.571
tors. eta vs tors. theta energy: -108.835
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: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1335.383746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.383746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.383746 (E_RNA)
where:
Base-Base interactions energy: -904.590
where: short stacking energy: -381.423
Base-Backbone interact. energy: -1.072
local terms energy: -429.721180
where:
bonds (distance) C4'-P energy: -88.180
bonds (distance) P-C4' energy: -90.048
flat angles C4'-P-C4' energy: -93.748
flat angles P-C4'-P energy: -59.044
tors. eta vs tors. theta energy: -98.702
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: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1164.319263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.319263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.319263 (E_RNA)
where:
Base-Base interactions energy: -749.348
where: short stacking energy: -327.811
Base-Backbone interact. energy: -1.774
local terms energy: -413.197834
where:
bonds (distance) C4'-P energy: -92.471
bonds (distance) P-C4' energy: -94.224
flat angles C4'-P-C4' energy: -97.021
flat angles P-C4'-P energy: -54.090
tors. eta vs tors. theta energy: -75.392
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: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1009.930483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.930483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.930483 (E_RNA)
where:
Base-Base interactions energy: -667.279
where: short stacking energy: -292.282
Base-Backbone interact. energy: 0.625
local terms energy: -343.276806
where:
bonds (distance) C4'-P energy: -93.023
bonds (distance) P-C4' energy: -78.055
flat angles C4'-P-C4' energy: -63.057
flat angles P-C4'-P energy: -58.318
tors. eta vs tors. theta energy: -50.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -606.757903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.757903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.757903 (E_RNA)
where:
Base-Base interactions energy: -315.638
where: short stacking energy: -174.732
Base-Backbone interact. energy: -0.855
local terms energy: -290.264423
where:
bonds (distance) C4'-P energy: -84.902
bonds (distance) P-C4' energy: -60.333
flat angles C4'-P-C4' energy: -89.359
flat angles P-C4'-P energy: -54.055
tors. eta vs tors. theta energy: -1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1857.447806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.447806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.447806 (E_RNA)
where:
Base-Base interactions energy: -1314.799
where: short stacking energy: -532.092
Base-Backbone interact. energy: -3.866
local terms energy: -538.782600
where:
bonds (distance) C4'-P energy: -93.683
bonds (distance) P-C4' energy: -107.841
flat angles C4'-P-C4' energy: -105.433
flat angles P-C4'-P energy: -88.503
tors. eta vs tors. theta energy: -143.323
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: 432
Temperature: 0.950000
Total energy: -1810.372486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.372486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.372486 (E_RNA)
where:
Base-Base interactions energy: -1281.514
where: short stacking energy: -507.560
Base-Backbone interact. energy: -0.413
local terms energy: -528.445612
where:
bonds (distance) C4'-P energy: -103.456
bonds (distance) P-C4' energy: -101.211
flat angles C4'-P-C4' energy: -113.015
flat angles P-C4'-P energy: -77.520
tors. eta vs tors. theta energy: -133.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1737.666965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.666965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.666965 (E_RNA)
where:
Base-Base interactions energy: -1216.774
where: short stacking energy: -503.158
Base-Backbone interact. energy: -4.797
local terms energy: -516.095910
where:
bonds (distance) C4'-P energy: -85.818
bonds (distance) P-C4' energy: -102.312
flat angles C4'-P-C4' energy: -115.345
flat angles P-C4'-P energy: -74.147
tors. eta vs tors. theta energy: -138.474
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: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1605.198399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.198399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.198399 (E_RNA)
where:
Base-Base interactions energy: -1118.637
where: short stacking energy: -486.571
Base-Backbone interact. energy: -1.336
local terms energy: -485.225359
where:
bonds (distance) C4'-P energy: -95.415
bonds (distance) P-C4' energy: -89.117
flat angles C4'-P-C4' energy: -97.534
flat angles P-C4'-P energy: -72.192
tors. eta vs tors. theta energy: -130.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1566.884009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.884009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.884009 (E_RNA)
where:
Base-Base interactions energy: -1090.278
where: short stacking energy: -462.495
Base-Backbone interact. energy: -1.824
local terms energy: -474.781850
where:
bonds (distance) C4'-P energy: -90.038
bonds (distance) P-C4' energy: -96.279
flat angles C4'-P-C4' energy: -96.566
flat angles P-C4'-P energy: -71.828
tors. eta vs tors. theta energy: -120.071
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: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1530.130850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.130850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.130850 (E_RNA)
where:
Base-Base interactions energy: -1071.788
where: short stacking energy: -439.078
Base-Backbone interact. energy: -4.278
local terms energy: -454.064231
where:
bonds (distance) C4'-P energy: -89.588
bonds (distance) P-C4' energy: -78.927
flat angles C4'-P-C4' energy: -103.199
flat angles P-C4'-P energy: -56.646
tors. eta vs tors. theta energy: -125.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1310.081898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.081898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.081898 (E_RNA)
where:
Base-Base interactions energy: -905.328
where: short stacking energy: -371.723
Base-Backbone interact. energy: 1.474
local terms energy: -406.228056
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -90.472
flat angles C4'-P-C4' energy: -89.693
flat angles P-C4'-P energy: -59.654
tors. eta vs tors. theta energy: -80.911
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: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1145.354822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.354822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.354822 (E_RNA)
where:
Base-Base interactions energy: -737.758
where: short stacking energy: -302.123
Base-Backbone interact. energy: 3.553
local terms energy: -411.150229
where:
bonds (distance) C4'-P energy: -96.857
bonds (distance) P-C4' energy: -95.549
flat angles C4'-P-C4' energy: -77.311
flat angles P-C4'-P energy: -63.407
tors. eta vs tors. theta energy: -78.026
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: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1003.175818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.175818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.175818 (E_RNA)
where:
Base-Base interactions energy: -673.938
where: short stacking energy: -276.466
Base-Backbone interact. energy: 1.606
local terms energy: -330.843217
where:
bonds (distance) C4'-P energy: -85.379
bonds (distance) P-C4' energy: -66.248
flat angles C4'-P-C4' energy: -81.228
flat angles P-C4'-P energy: -45.081
tors. eta vs tors. theta energy: -52.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -565.676900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.676900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.676900 (E_RNA)
where:
Base-Base interactions energy: -291.635
where: short stacking energy: -188.451
Base-Backbone interact. energy: 5.069
local terms energy: -279.111004
where:
bonds (distance) C4'-P energy: -91.032
bonds (distance) P-C4' energy: -83.204
flat angles C4'-P-C4' energy: -74.519
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -9.031
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: 433
Temperature: 0.900000
Total energy: -1869.065746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.065746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.065746 (E_RNA)
where:
Base-Base interactions energy: -1333.385
where: short stacking energy: -531.623
Base-Backbone interact. energy: -3.434
local terms energy: -532.246786
where:
bonds (distance) C4'-P energy: -105.604
bonds (distance) P-C4' energy: -103.710
flat angles C4'-P-C4' energy: -107.831
flat angles P-C4'-P energy: -62.789
tors. eta vs tors. theta energy: -152.313
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: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1790.526309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.526309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.526309 (E_RNA)
where:
Base-Base interactions energy: -1244.767
where: short stacking energy: -502.940
Base-Backbone interact. energy: -2.680
local terms energy: -543.079452
where:
bonds (distance) C4'-P energy: -101.061
bonds (distance) P-C4' energy: -109.990
flat angles C4'-P-C4' energy: -112.715
flat angles P-C4'-P energy: -80.139
tors. eta vs tors. theta energy: -139.174
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: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1720.891535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.891535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.891535 (E_RNA)
where:
Base-Base interactions energy: -1201.313
where: short stacking energy: -516.688
Base-Backbone interact. energy: 1.018
local terms energy: -520.596073
where:
bonds (distance) C4'-P energy: -97.304
bonds (distance) P-C4' energy: -90.744
flat angles C4'-P-C4' energy: -121.147
flat angles P-C4'-P energy: -71.612
tors. eta vs tors. theta energy: -139.790
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: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1617.755406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.755406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.755406 (E_RNA)
where:
Base-Base interactions energy: -1151.210
where: short stacking energy: -474.563
Base-Backbone interact. energy: -1.069
local terms energy: -465.476146
where:
bonds (distance) C4'-P energy: -90.240
bonds (distance) P-C4' energy: -89.446
flat angles C4'-P-C4' energy: -107.863
flat angles P-C4'-P energy: -64.586
tors. eta vs tors. theta energy: -113.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1557.016998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.016998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.016998 (E_RNA)
where:
Base-Base interactions energy: -1091.394
where: short stacking energy: -449.857
Base-Backbone interact. energy: -0.069
local terms energy: -465.553238
where:
bonds (distance) C4'-P energy: -86.435
bonds (distance) P-C4' energy: -105.017
flat angles C4'-P-C4' energy: -98.126
flat angles P-C4'-P energy: -61.387
tors. eta vs tors. theta energy: -114.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1519.418824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.418824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.418824 (E_RNA)
where:
Base-Base interactions energy: -1045.297
where: short stacking energy: -448.356
Base-Backbone interact. energy: -0.908
local terms energy: -473.213375
where:
bonds (distance) C4'-P energy: -96.012
bonds (distance) P-C4' energy: -87.882
flat angles C4'-P-C4' energy: -99.535
flat angles P-C4'-P energy: -71.428
tors. eta vs tors. theta energy: -118.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1336.895954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.895954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.895954 (E_RNA)
where:
Base-Base interactions energy: -933.155
where: short stacking energy: -388.668
Base-Backbone interact. energy: -0.499
local terms energy: -403.241629
where:
bonds (distance) C4'-P energy: -89.599
bonds (distance) P-C4' energy: -78.596
flat angles C4'-P-C4' energy: -102.260
flat angles P-C4'-P energy: -51.826
tors. eta vs tors. theta energy: -80.960
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: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1132.896772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.896772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.896772 (E_RNA)
where:
Base-Base interactions energy: -755.083
where: short stacking energy: -297.985
Base-Backbone interact. energy: 0.004
local terms energy: -377.817293
where:
bonds (distance) C4'-P energy: -96.882
bonds (distance) P-C4' energy: -90.641
flat angles C4'-P-C4' energy: -88.787
flat angles P-C4'-P energy: -40.272
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: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -961.874145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.874145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.874145 (E_RNA)
where:
Base-Base interactions energy: -608.124
where: short stacking energy: -273.471
Base-Backbone interact. energy: -0.616
local terms energy: -353.134090
where:
bonds (distance) C4'-P energy: -88.580
bonds (distance) P-C4' energy: -86.213
flat angles C4'-P-C4' energy: -73.845
flat angles P-C4'-P energy: -48.623
tors. eta vs tors. theta energy: -55.873
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: 433
Temperature: 1.350000
Total energy: -573.172539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.172539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.172539 (E_RNA)
where:
Base-Base interactions energy: -286.059
where: short stacking energy: -164.774
Base-Backbone interact. energy: -1.380
local terms energy: -285.733420
where:
bonds (distance) C4'-P energy: -80.734
bonds (distance) P-C4' energy: -88.516
flat angles C4'-P-C4' energy: -72.959
flat angles P-C4'-P energy: -44.056
tors. eta vs tors. theta energy: 0.531
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: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1863.273578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.273578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.273578 (E_RNA)
where:
Base-Base interactions energy: -1313.731
where: short stacking energy: -506.216
Base-Backbone interact. energy: -2.500
local terms energy: -547.042915
where:
bonds (distance) C4'-P energy: -102.100
bonds (distance) P-C4' energy: -100.263
flat angles C4'-P-C4' energy: -112.803
flat angles P-C4'-P energy: -75.353
tors. eta vs tors. theta energy: -156.524
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: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1782.512714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.512714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.512714 (E_RNA)
where:
Base-Base interactions energy: -1253.386
where: short stacking energy: -473.007
Base-Backbone interact. energy: 0.322
local terms energy: -529.448469
where:
bonds (distance) C4'-P energy: -100.363
bonds (distance) P-C4' energy: -107.280
flat angles C4'-P-C4' energy: -120.868
flat angles P-C4'-P energy: -77.702
tors. eta vs tors. theta energy: -123.236
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: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1698.294756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.294756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.294756 (E_RNA)
where:
Base-Base interactions energy: -1177.443
where: short stacking energy: -487.044
Base-Backbone interact. energy: -2.537
local terms energy: -518.314992
where:
bonds (distance) C4'-P energy: -97.252
bonds (distance) P-C4' energy: -100.101
flat angles C4'-P-C4' energy: -116.857
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -132.290
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: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1596.541620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.541620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.541620 (E_RNA)
where:
Base-Base interactions energy: -1110.882
where: short stacking energy: -453.665
Base-Backbone interact. energy: -1.397
local terms energy: -484.262354
where:
bonds (distance) C4'-P energy: -100.889
bonds (distance) P-C4' energy: -85.258
flat angles C4'-P-C4' energy: -110.579
flat angles P-C4'-P energy: -67.334
tors. eta vs tors. theta energy: -120.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1583.478091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.478091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.478091 (E_RNA)
where:
Base-Base interactions energy: -1096.034
where: short stacking energy: -459.121
Base-Backbone interact. energy: -3.622
local terms energy: -483.821291
where:
bonds (distance) C4'-P energy: -99.607
bonds (distance) P-C4' energy: -78.477
flat angles C4'-P-C4' energy: -107.083
flat angles P-C4'-P energy: -70.492
tors. eta vs tors. theta energy: -128.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1411.599859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.599859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.599859 (E_RNA)
where:
Base-Base interactions energy: -1002.803
where: short stacking energy: -388.810
Base-Backbone interact. energy: -2.248
local terms energy: -406.549170
where:
bonds (distance) C4'-P energy: -83.692
bonds (distance) P-C4' energy: -87.622
flat angles C4'-P-C4' energy: -97.438
flat angles P-C4'-P energy: -54.876
tors. eta vs tors. theta energy: -82.921
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: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1337.103450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.103450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.103450 (E_RNA)
where:
Base-Base interactions energy: -917.654
where: short stacking energy: -380.270
Base-Backbone interact. energy: -1.848
local terms energy: -417.601825
where:
bonds (distance) C4'-P energy: -67.062
bonds (distance) P-C4' energy: -98.441
flat angles C4'-P-C4' energy: -99.058
flat angles P-C4'-P energy: -65.276
tors. eta vs tors. theta energy: -87.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1170.123577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.123577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.123577 (E_RNA)
where:
Base-Base interactions energy: -790.213
where: short stacking energy: -342.839
Base-Backbone interact. energy: 0.780
local terms energy: -380.690487
where:
bonds (distance) C4'-P energy: -87.911
bonds (distance) P-C4' energy: -70.981
flat angles C4'-P-C4' energy: -90.940
flat angles P-C4'-P energy: -51.797
tors. eta vs tors. theta energy: -79.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -921.112306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.112306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.112306 (E_RNA)
where:
Base-Base interactions energy: -587.720
where: short stacking energy: -242.060
Base-Backbone interact. energy: -0.966
local terms energy: -332.426066
where:
bonds (distance) C4'-P energy: -86.438
bonds (distance) P-C4' energy: -77.808
flat angles C4'-P-C4' energy: -78.626
flat angles P-C4'-P energy: -56.960
tors. eta vs tors. theta energy: -32.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -587.521026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.521026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.521026 (E_RNA)
where:
Base-Base interactions energy: -291.659
where: short stacking energy: -172.337
Base-Backbone interact. energy: -0.127
local terms energy: -295.735725
where:
bonds (distance) C4'-P energy: -98.369
bonds (distance) P-C4' energy: -72.287
flat angles C4'-P-C4' energy: -75.887
flat angles P-C4'-P energy: -51.750
tors. eta vs tors. theta energy: 2.557
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: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1848.783739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.783739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.783739 (E_RNA)
where:
Base-Base interactions energy: -1294.314
where: short stacking energy: -522.535
Base-Backbone interact. energy: -4.737
local terms energy: -549.732753
where:
bonds (distance) C4'-P energy: -105.052
bonds (distance) P-C4' energy: -111.051
flat angles C4'-P-C4' energy: -117.332
flat angles P-C4'-P energy: -74.203
tors. eta vs tors. theta energy: -142.095
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: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1799.172163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.172163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.172163 (E_RNA)
where:
Base-Base interactions energy: -1280.889
where: short stacking energy: -503.710
Base-Backbone interact. energy: -2.472
local terms energy: -515.811461
where:
bonds (distance) C4'-P energy: -92.708
bonds (distance) P-C4' energy: -95.075
flat angles C4'-P-C4' energy: -121.521
flat angles P-C4'-P energy: -72.799
tors. eta vs tors. theta energy: -133.707
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: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1663.004909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.004909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.004909 (E_RNA)
where:
Base-Base interactions energy: -1171.903
where: short stacking energy: -447.023
Base-Backbone interact. energy: -2.301
local terms energy: -488.801443
where:
bonds (distance) C4'-P energy: -92.484
bonds (distance) P-C4' energy: -92.122
flat angles C4'-P-C4' energy: -101.688
flat angles P-C4'-P energy: -73.357
tors. eta vs tors. theta energy: -129.150
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: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1591.885851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.885851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.885851 (E_RNA)
where:
Base-Base interactions energy: -1096.792
where: short stacking energy: -457.065
Base-Backbone interact. energy: -0.520
local terms energy: -494.574181
where:
bonds (distance) C4'-P energy: -92.043
bonds (distance) P-C4' energy: -104.538
flat angles C4'-P-C4' energy: -108.898
flat angles P-C4'-P energy: -64.826
tors. eta vs tors. theta energy: -124.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1581.468935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.468935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.468935 (E_RNA)
where:
Base-Base interactions energy: -1090.633
where: short stacking energy: -454.509
Base-Backbone interact. energy: 2.705
local terms energy: -493.541074
where:
bonds (distance) C4'-P energy: -99.772
bonds (distance) P-C4' energy: -95.101
flat angles C4'-P-C4' energy: -98.923
flat angles P-C4'-P energy: -75.055
tors. eta vs tors. theta energy: -124.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1479.541419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.541419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.541419 (E_RNA)
where:
Base-Base interactions energy: -1045.468
where: short stacking energy: -432.246
Base-Backbone interact. energy: 0.504
local terms energy: -434.577014
where:
bonds (distance) C4'-P energy: -78.811
bonds (distance) P-C4' energy: -71.800
flat angles C4'-P-C4' energy: -108.510
flat angles P-C4'-P energy: -65.073
tors. eta vs tors. theta energy: -110.382
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: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1364.457578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.457578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.457578 (E_RNA)
where:
Base-Base interactions energy: -932.333
where: short stacking energy: -386.109
Base-Backbone interact. energy: 0.435
local terms energy: -432.558755
where:
bonds (distance) C4'-P energy: -78.248
bonds (distance) P-C4' energy: -97.515
flat angles C4'-P-C4' energy: -94.997
flat angles P-C4'-P energy: -64.940
tors. eta vs tors. theta energy: -96.860
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: 435
Temperature: 1.250000
Total energy: -1184.816873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.816873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.816873 (E_RNA)
where:
Base-Base interactions energy: -763.833
where: short stacking energy: -331.343
Base-Backbone interact. energy: -2.056
local terms energy: -418.927598
where:
bonds (distance) C4'-P energy: -85.851
bonds (distance) P-C4' energy: -106.264
flat angles C4'-P-C4' energy: -87.779
flat angles P-C4'-P energy: -58.875
tors. eta vs tors. theta energy: -80.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -830.713427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.713427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.713427 (E_RNA)
where:
Base-Base interactions energy: -488.864
where: short stacking energy: -236.803
Base-Backbone interact. energy: -1.564
local terms energy: -340.285312
where:
bonds (distance) C4'-P energy: -83.107
bonds (distance) P-C4' energy: -87.063
flat angles C4'-P-C4' energy: -87.095
flat angles P-C4'-P energy: -40.908
tors. eta vs tors. theta energy: -42.112
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: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -585.170266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.170266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.170266 (E_RNA)
where:
Base-Base interactions energy: -315.974
where: short stacking energy: -191.158
Base-Backbone interact. energy: -0.540
local terms energy: -268.655584
where:
bonds (distance) C4'-P energy: -51.653
bonds (distance) P-C4' energy: -95.697
flat angles C4'-P-C4' energy: -77.924
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1850.923465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.923465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.923465 (E_RNA)
where:
Base-Base interactions energy: -1316.429
where: short stacking energy: -504.375
Base-Backbone interact. energy: -1.464
local terms energy: -533.029747
where:
bonds (distance) C4'-P energy: -93.810
bonds (distance) P-C4' energy: -110.338
flat angles C4'-P-C4' energy: -124.044
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -135.431
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: 436
Temperature: 0.950000
Total energy: -1806.022805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.022805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.022805 (E_RNA)
where:
Base-Base interactions energy: -1293.824
where: short stacking energy: -528.191
Base-Backbone interact. energy: -1.805
local terms energy: -510.394189
where:
bonds (distance) C4'-P energy: -91.185
bonds (distance) P-C4' energy: -96.987
flat angles C4'-P-C4' energy: -111.974
flat angles P-C4'-P energy: -71.270
tors. eta vs tors. theta energy: -138.978
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: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1706.127839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.127839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.127839 (E_RNA)
where:
Base-Base interactions energy: -1200.979
where: short stacking energy: -474.399
Base-Backbone interact. energy: -1.547
local terms energy: -503.602554
where:
bonds (distance) C4'-P energy: -96.547
bonds (distance) P-C4' energy: -103.271
flat angles C4'-P-C4' energy: -105.184
flat angles P-C4'-P energy: -74.865
tors. eta vs tors. theta energy: -123.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1605.745893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.745893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.745893 (E_RNA)
where:
Base-Base interactions energy: -1115.924
where: short stacking energy: -494.258
Base-Backbone interact. energy: -2.960
local terms energy: -486.862547
where:
bonds (distance) C4'-P energy: -87.274
bonds (distance) P-C4' energy: -91.004
flat angles C4'-P-C4' energy: -114.854
flat angles P-C4'-P energy: -71.226
tors. eta vs tors. theta energy: -122.504
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: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1557.235325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.235325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.235325 (E_RNA)
where:
Base-Base interactions energy: -1080.873
where: short stacking energy: -462.553
Base-Backbone interact. energy: -3.261
local terms energy: -473.100588
where:
bonds (distance) C4'-P energy: -94.027
bonds (distance) P-C4' energy: -91.763
flat angles C4'-P-C4' energy: -104.174
flat angles P-C4'-P energy: -70.008
tors. eta vs tors. theta energy: -113.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1446.654505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.654505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.654505 (E_RNA)
where:
Base-Base interactions energy: -1003.372
where: short stacking energy: -409.570
Base-Backbone interact. energy: -1.571
local terms energy: -441.711197
where:
bonds (distance) C4'-P energy: -98.041
bonds (distance) P-C4' energy: -89.990
flat angles C4'-P-C4' energy: -90.791
flat angles P-C4'-P energy: -66.802
tors. eta vs tors. theta energy: -96.087
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: 436
Temperature: 1.200000
Total energy: -1358.592372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.592372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.592372 (E_RNA)
where:
Base-Base interactions energy: -929.162
where: short stacking energy: -396.876
Base-Backbone interact. energy: -1.570
local terms energy: -427.860090
where:
bonds (distance) C4'-P energy: -84.594
bonds (distance) P-C4' energy: -88.520
flat angles C4'-P-C4' energy: -95.586
flat angles P-C4'-P energy: -64.170
tors. eta vs tors. theta energy: -94.990
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: 436
Temperature: 1.250000
Total energy: -1142.862179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.862179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.862179 (E_RNA)
where:
Base-Base interactions energy: -762.233
where: short stacking energy: -324.503
Base-Backbone interact. energy: 0.075
local terms energy: -380.704091
where:
bonds (distance) C4'-P energy: -73.752
bonds (distance) P-C4' energy: -91.429
flat angles C4'-P-C4' energy: -93.474
flat angles P-C4'-P energy: -61.731
tors. eta vs tors. theta energy: -60.318
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: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -903.982925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.982925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.982925 (E_RNA)
where:
Base-Base interactions energy: -560.988
where: short stacking energy: -278.618
Base-Backbone interact. energy: -1.101
local terms energy: -341.894063
where:
bonds (distance) C4'-P energy: -64.142
bonds (distance) P-C4' energy: -99.050
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -59.489
tors. eta vs tors. theta energy: -43.229
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: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -551.969969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.969969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.969969 (E_RNA)
where:
Base-Base interactions energy: -264.987
where: short stacking energy: -173.380
Base-Backbone interact. energy: 3.671
local terms energy: -290.653463
where:
bonds (distance) C4'-P energy: -88.662
bonds (distance) P-C4' energy: -84.315
flat angles C4'-P-C4' energy: -62.045
flat angles P-C4'-P energy: -52.479
tors. eta vs tors. theta energy: -3.152
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: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1860.798329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.798329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.798329 (E_RNA)
where:
Base-Base interactions energy: -1325.967
where: short stacking energy: -506.756
Base-Backbone interact. energy: -7.093
local terms energy: -527.737761
where:
bonds (distance) C4'-P energy: -95.351
bonds (distance) P-C4' energy: -99.223
flat angles C4'-P-C4' energy: -117.759
flat angles P-C4'-P energy: -72.823
tors. eta vs tors. theta energy: -142.583
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: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1808.989508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.989508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.989508 (E_RNA)
where:
Base-Base interactions energy: -1253.342
where: short stacking energy: -523.052
Base-Backbone interact. energy: -3.394
local terms energy: -552.253796
where:
bonds (distance) C4'-P energy: -105.821
bonds (distance) P-C4' energy: -101.069
flat angles C4'-P-C4' energy: -115.347
flat angles P-C4'-P energy: -79.468
tors. eta vs tors. theta energy: -150.549
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: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1691.417707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.417707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.417707 (E_RNA)
where:
Base-Base interactions energy: -1176.467
where: short stacking energy: -485.778
Base-Backbone interact. energy: -3.547
local terms energy: -511.404333
where:
bonds (distance) C4'-P energy: -101.197
bonds (distance) P-C4' energy: -88.427
flat angles C4'-P-C4' energy: -110.432
flat angles P-C4'-P energy: -79.598
tors. eta vs tors. theta energy: -131.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1613.764530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.764530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.764530 (E_RNA)
where:
Base-Base interactions energy: -1117.346
where: short stacking energy: -475.126
Base-Backbone interact. energy: -2.185
local terms energy: -494.233487
where:
bonds (distance) C4'-P energy: -89.773
bonds (distance) P-C4' energy: -100.989
flat angles C4'-P-C4' energy: -102.304
flat angles P-C4'-P energy: -66.215
tors. eta vs tors. theta energy: -134.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1556.255821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.255821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.255821 (E_RNA)
where:
Base-Base interactions energy: -1077.349
where: short stacking energy: -441.884
Base-Backbone interact. energy: 2.069
local terms energy: -480.976563
where:
bonds (distance) C4'-P energy: -99.498
bonds (distance) P-C4' energy: -91.191
flat angles C4'-P-C4' energy: -105.763
flat angles P-C4'-P energy: -75.406
tors. eta vs tors. theta energy: -109.118
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: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1507.235235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.235235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.235235 (E_RNA)
where:
Base-Base interactions energy: -1051.544
where: short stacking energy: -425.956
Base-Backbone interact. energy: 0.790
local terms energy: -456.481851
where:
bonds (distance) C4'-P energy: -82.703
bonds (distance) P-C4' energy: -83.261
flat angles C4'-P-C4' energy: -100.828
flat angles P-C4'-P energy: -75.904
tors. eta vs tors. theta energy: -113.785
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: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1317.373157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.373157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.373157 (E_RNA)
where:
Base-Base interactions energy: -882.648
where: short stacking energy: -366.869
Base-Backbone interact. energy: -1.160
local terms energy: -433.565804
where:
bonds (distance) C4'-P energy: -96.501
bonds (distance) P-C4' energy: -90.817
flat angles C4'-P-C4' energy: -113.088
flat angles P-C4'-P energy: -53.238
tors. eta vs tors. theta energy: -79.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1154.317139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.317139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.317139 (E_RNA)
where:
Base-Base interactions energy: -790.324
where: short stacking energy: -307.804
Base-Backbone interact. energy: 0.272
local terms energy: -364.264524
where:
bonds (distance) C4'-P energy: -87.954
bonds (distance) P-C4' energy: -68.583
flat angles C4'-P-C4' energy: -88.329
flat angles P-C4'-P energy: -61.325
tors. eta vs tors. theta energy: -58.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -886.430336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.430336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.430336 (E_RNA)
where:
Base-Base interactions energy: -555.663
where: short stacking energy: -249.219
Base-Backbone interact. energy: -1.849
local terms energy: -328.918694
where:
bonds (distance) C4'-P energy: -88.307
bonds (distance) P-C4' energy: -92.297
flat angles C4'-P-C4' energy: -71.680
flat angles P-C4'-P energy: -47.208
tors. eta vs tors. theta energy: -29.427
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: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -576.207569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.207569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.207569 (E_RNA)
where:
Base-Base interactions energy: -267.200
where: short stacking energy: -149.171
Base-Backbone interact. energy: 0.221
local terms energy: -309.228075
where:
bonds (distance) C4'-P energy: -86.388
bonds (distance) P-C4' energy: -93.126
flat angles C4'-P-C4' energy: -84.143
flat angles P-C4'-P energy: -46.300
tors. eta vs tors. theta energy: 0.729
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: 438
Temperature: 0.900000
Total energy: -1837.647824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.647824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.647824 (E_RNA)
where:
Base-Base interactions energy: -1295.149
where: short stacking energy: -520.312
Base-Backbone interact. energy: -2.703
local terms energy: -539.796175
where:
bonds (distance) C4'-P energy: -103.128
bonds (distance) P-C4' energy: -112.465
flat angles C4'-P-C4' energy: -111.851
flat angles P-C4'-P energy: -66.674
tors. eta vs tors. theta energy: -145.678
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: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1826.715251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.715251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.715251 (E_RNA)
where:
Base-Base interactions energy: -1315.623
where: short stacking energy: -518.371
Base-Backbone interact. energy: -0.078
local terms energy: -511.014258
where:
bonds (distance) C4'-P energy: -99.242
bonds (distance) P-C4' energy: -85.223
flat angles C4'-P-C4' energy: -115.761
flat angles P-C4'-P energy: -81.395
tors. eta vs tors. theta energy: -129.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1696.655971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.655971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.655971 (E_RNA)
where:
Base-Base interactions energy: -1182.634
where: short stacking energy: -466.131
Base-Backbone interact. energy: -1.486
local terms energy: -512.536948
where:
bonds (distance) C4'-P energy: -103.374
bonds (distance) P-C4' energy: -96.203
flat angles C4'-P-C4' energy: -105.861
flat angles P-C4'-P energy: -81.292
tors. eta vs tors. theta energy: -125.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1599.677047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.677047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.677047 (E_RNA)
where:
Base-Base interactions energy: -1131.708
where: short stacking energy: -471.184
Base-Backbone interact. energy: -3.622
local terms energy: -464.346890
where:
bonds (distance) C4'-P energy: -81.914
bonds (distance) P-C4' energy: -91.379
flat angles C4'-P-C4' energy: -90.606
flat angles P-C4'-P energy: -76.167
tors. eta vs tors. theta energy: -124.282
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: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1552.617420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.617420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.617420 (E_RNA)
where:
Base-Base interactions energy: -1101.228
where: short stacking energy: -443.461
Base-Backbone interact. energy: -1.640
local terms energy: -449.749520
where:
bonds (distance) C4'-P energy: -89.378
bonds (distance) P-C4' energy: -91.410
flat angles C4'-P-C4' energy: -98.162
flat angles P-C4'-P energy: -66.722
tors. eta vs tors. theta energy: -104.078
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: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1513.577074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.577074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.577074 (E_RNA)
where:
Base-Base interactions energy: -1082.699
where: short stacking energy: -456.081
Base-Backbone interact. energy: -1.903
local terms energy: -428.975427
where:
bonds (distance) C4'-P energy: -80.512
bonds (distance) P-C4' energy: -97.412
flat angles C4'-P-C4' energy: -91.398
flat angles P-C4'-P energy: -57.135
tors. eta vs tors. theta energy: -102.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1330.213855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.213855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.213855 (E_RNA)
where:
Base-Base interactions energy: -921.145
where: short stacking energy: -401.120
Base-Backbone interact. energy: -2.542
local terms energy: -406.526852
where:
bonds (distance) C4'-P energy: -68.971
bonds (distance) P-C4' energy: -89.603
flat angles C4'-P-C4' energy: -84.467
flat angles P-C4'-P energy: -63.861
tors. eta vs tors. theta energy: -99.626
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: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1224.098189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.098189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.098189 (E_RNA)
where:
Base-Base interactions energy: -828.610
where: short stacking energy: -364.576
Base-Backbone interact. energy: -3.718
local terms energy: -391.769982
where:
bonds (distance) C4'-P energy: -63.814
bonds (distance) P-C4' energy: -84.535
flat angles C4'-P-C4' energy: -88.975
flat angles P-C4'-P energy: -60.115
tors. eta vs tors. theta energy: -94.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -868.427575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.427575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.427575 (E_RNA)
where:
Base-Base interactions energy: -535.081
where: short stacking energy: -246.586
Base-Backbone interact. energy: -1.563
local terms energy: -331.783537
where:
bonds (distance) C4'-P energy: -64.699
bonds (distance) P-C4' energy: -93.436
flat angles C4'-P-C4' energy: -78.357
flat angles P-C4'-P energy: -66.596
tors. eta vs tors. theta energy: -28.696
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: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -554.720565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.720565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.720565 (E_RNA)
where:
Base-Base interactions energy: -262.621
where: short stacking energy: -165.618
Base-Backbone interact. energy: 8.266
local terms energy: -300.366216
where:
bonds (distance) C4'-P energy: -83.373
bonds (distance) P-C4' energy: -83.878
flat angles C4'-P-C4' energy: -84.121
flat angles P-C4'-P energy: -57.372
tors. eta vs tors. theta energy: 8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1876.022572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.022572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.022572 (E_RNA)
where:
Base-Base interactions energy: -1323.062
where: short stacking energy: -532.277
Base-Backbone interact. energy: -0.170
local terms energy: -552.790712
where:
bonds (distance) C4'-P energy: -103.949
bonds (distance) P-C4' energy: -106.925
flat angles C4'-P-C4' energy: -114.312
flat angles P-C4'-P energy: -80.670
tors. eta vs tors. theta energy: -146.934
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: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1802.652227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.652227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.652227 (E_RNA)
where:
Base-Base interactions energy: -1289.556
where: short stacking energy: -517.152
Base-Backbone interact. energy: -0.092
local terms energy: -513.004189
where:
bonds (distance) C4'-P energy: -88.144
bonds (distance) P-C4' energy: -103.470
flat angles C4'-P-C4' energy: -104.630
flat angles P-C4'-P energy: -84.952
tors. eta vs tors. theta energy: -131.808
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: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1664.819165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.819165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.819165 (E_RNA)
where:
Base-Base interactions energy: -1156.926
where: short stacking energy: -483.891
Base-Backbone interact. energy: -2.447
local terms energy: -505.446287
where:
bonds (distance) C4'-P energy: -97.221
bonds (distance) P-C4' energy: -90.838
flat angles C4'-P-C4' energy: -113.666
flat angles P-C4'-P energy: -79.018
tors. eta vs tors. theta energy: -124.704
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: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1600.794716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.794716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.794716 (E_RNA)
where:
Base-Base interactions energy: -1086.299
where: short stacking energy: -473.551
Base-Backbone interact. energy: -0.520
local terms energy: -513.975483
where:
bonds (distance) C4'-P energy: -104.477
bonds (distance) P-C4' energy: -95.996
flat angles C4'-P-C4' energy: -111.935
flat angles P-C4'-P energy: -79.301
tors. eta vs tors. theta energy: -122.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1558.558729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.558729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.558729 (E_RNA)
where:
Base-Base interactions energy: -1108.040
where: short stacking energy: -435.580
Base-Backbone interact. energy: 1.887
local terms energy: -452.405246
where:
bonds (distance) C4'-P energy: -92.981
bonds (distance) P-C4' energy: -94.145
flat angles C4'-P-C4' energy: -94.524
flat angles P-C4'-P energy: -66.986
tors. eta vs tors. theta energy: -103.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1486.186237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.186237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.186237 (E_RNA)
where:
Base-Base interactions energy: -1039.192
where: short stacking energy: -425.745
Base-Backbone interact. energy: -2.812
local terms energy: -444.181699
where:
bonds (distance) C4'-P energy: -91.589
bonds (distance) P-C4' energy: -83.221
flat angles C4'-P-C4' energy: -94.333
flat angles P-C4'-P energy: -63.200
tors. eta vs tors. theta energy: -111.838
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: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1401.310085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.310085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.310085 (E_RNA)
where:
Base-Base interactions energy: -985.595
where: short stacking energy: -413.668
Base-Backbone interact. energy: -0.655
local terms energy: -415.060535
where:
bonds (distance) C4'-P energy: -79.332
bonds (distance) P-C4' energy: -83.122
flat angles C4'-P-C4' energy: -90.045
flat angles P-C4'-P energy: -65.246
tors. eta vs tors. theta energy: -97.315
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: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1236.184126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.184126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.184126 (E_RNA)
where:
Base-Base interactions energy: -843.025
where: short stacking energy: -347.306
Base-Backbone interact. energy: -1.126
local terms energy: -392.033648
where:
bonds (distance) C4'-P energy: -69.410
bonds (distance) P-C4' energy: -79.119
flat angles C4'-P-C4' energy: -90.427
flat angles P-C4'-P energy: -67.781
tors. eta vs tors. theta energy: -85.295
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: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -886.057051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.057051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.057051 (E_RNA)
where:
Base-Base interactions energy: -539.483
where: short stacking energy: -247.872
Base-Backbone interact. energy: -2.417
local terms energy: -344.156705
where:
bonds (distance) C4'-P energy: -76.068
bonds (distance) P-C4' energy: -81.199
flat angles C4'-P-C4' energy: -86.615
flat angles P-C4'-P energy: -65.421
tors. eta vs tors. theta energy: -34.854
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: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -584.987215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.987215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.987215 (E_RNA)
where:
Base-Base interactions energy: -284.910
where: short stacking energy: -164.812
Base-Backbone interact. energy: 0.645
local terms energy: -300.722209
where:
bonds (distance) C4'-P energy: -93.843
bonds (distance) P-C4' energy: -89.317
flat angles C4'-P-C4' energy: -77.128
flat angles P-C4'-P energy: -46.152
tors. eta vs tors. theta energy: 5.718
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: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1869.821578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.821578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.821578 (E_RNA)
where:
Base-Base interactions energy: -1332.306
where: short stacking energy: -518.372
Base-Backbone interact. energy: -2.401
local terms energy: -535.114546
where:
bonds (distance) C4'-P energy: -97.600
bonds (distance) P-C4' energy: -102.225
flat angles C4'-P-C4' energy: -108.491
flat angles P-C4'-P energy: -83.040
tors. eta vs tors. theta energy: -143.759
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: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1816.867663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.867663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.867663 (E_RNA)
where:
Base-Base interactions energy: -1297.821
where: short stacking energy: -514.431
Base-Backbone interact. energy: -4.782
local terms energy: -514.264501
where:
bonds (distance) C4'-P energy: -86.747
bonds (distance) P-C4' energy: -96.330
flat angles C4'-P-C4' energy: -116.325
flat angles P-C4'-P energy: -73.681
tors. eta vs tors. theta energy: -141.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1698.847912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.847912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.847912 (E_RNA)
where:
Base-Base interactions energy: -1190.108
where: short stacking energy: -477.301
Base-Backbone interact. energy: 0.114
local terms energy: -508.854067
where:
bonds (distance) C4'-P energy: -92.417
bonds (distance) P-C4' energy: -106.281
flat angles C4'-P-C4' energy: -113.230
flat angles P-C4'-P energy: -74.046
tors. eta vs tors. theta energy: -122.880
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: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1622.866568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.866568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.866568 (E_RNA)
where:
Base-Base interactions energy: -1141.936
where: short stacking energy: -458.277
Base-Backbone interact. energy: -0.126
local terms energy: -480.804973
where:
bonds (distance) C4'-P energy: -82.624
bonds (distance) P-C4' energy: -101.698
flat angles C4'-P-C4' energy: -101.036
flat angles P-C4'-P energy: -76.172
tors. eta vs tors. theta energy: -119.275
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: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1548.439217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.439217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.439217 (E_RNA)
where:
Base-Base interactions energy: -1102.703
where: short stacking energy: -446.989
Base-Backbone interact. energy: -0.483
local terms energy: -445.253244
where:
bonds (distance) C4'-P energy: -81.969
bonds (distance) P-C4' energy: -85.482
flat angles C4'-P-C4' energy: -96.157
flat angles P-C4'-P energy: -69.456
tors. eta vs tors. theta energy: -112.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1476.748195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.748195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.748195 (E_RNA)
where:
Base-Base interactions energy: -1057.653
where: short stacking energy: -416.386
Base-Backbone interact. energy: -2.969
local terms energy: -416.125648
where:
bonds (distance) C4'-P energy: -61.489
bonds (distance) P-C4' energy: -89.769
flat angles C4'-P-C4' energy: -101.353
flat angles P-C4'-P energy: -51.982
tors. eta vs tors. theta energy: -111.533
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: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1355.799101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.799101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.799101 (E_RNA)
where:
Base-Base interactions energy: -921.970
where: short stacking energy: -393.543
Base-Backbone interact. energy: -0.261
local terms energy: -433.568100
where:
bonds (distance) C4'-P energy: -91.201
bonds (distance) P-C4' energy: -87.299
flat angles C4'-P-C4' energy: -99.696
flat angles P-C4'-P energy: -56.315
tors. eta vs tors. theta energy: -99.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1165.645094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.645094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.645094 (E_RNA)
where:
Base-Base interactions energy: -795.895
where: short stacking energy: -349.219
Base-Backbone interact. energy: 0.087
local terms energy: -369.837353
where:
bonds (distance) C4'-P energy: -57.738
bonds (distance) P-C4' energy: -86.061
flat angles C4'-P-C4' energy: -94.474
flat angles P-C4'-P energy: -43.671
tors. eta vs tors. theta energy: -87.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -841.920632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.920632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.920632 (E_RNA)
where:
Base-Base interactions energy: -517.336
where: short stacking energy: -224.206
Base-Backbone interact. energy: -1.158
local terms energy: -323.426595
where:
bonds (distance) C4'-P energy: -81.592
bonds (distance) P-C4' energy: -83.706
flat angles C4'-P-C4' energy: -70.599
flat angles P-C4'-P energy: -60.799
tors. eta vs tors. theta energy: -26.730
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: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -601.275419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.275419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.275419 (E_RNA)
where:
Base-Base interactions energy: -315.293
where: short stacking energy: -159.481
Base-Backbone interact. energy: 1.851
local terms energy: -287.834004
where:
bonds (distance) C4'-P energy: -75.988
bonds (distance) P-C4' energy: -95.392
flat angles C4'-P-C4' energy: -92.265
flat angles P-C4'-P energy: -35.077
tors. eta vs tors. theta energy: 10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1846.342132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.342132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.342132 (E_RNA)
where:
Base-Base interactions energy: -1293.277
where: short stacking energy: -537.988
Base-Backbone interact. energy: -4.874
local terms energy: -548.191969
where:
bonds (distance) C4'-P energy: -99.568
bonds (distance) P-C4' energy: -99.172
flat angles C4'-P-C4' energy: -112.830
flat angles P-C4'-P energy: -88.409
tors. eta vs tors. theta energy: -148.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1791.382744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.382744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.382744 (E_RNA)
where:
Base-Base interactions energy: -1276.877
where: short stacking energy: -496.405
Base-Backbone interact. energy: -1.889
local terms energy: -512.616953
where:
bonds (distance) C4'-P energy: -97.698
bonds (distance) P-C4' energy: -96.448
flat angles C4'-P-C4' energy: -114.732
flat angles P-C4'-P energy: -74.623
tors. eta vs tors. theta energy: -129.116
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: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1675.125903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.125903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.125903 (E_RNA)
where:
Base-Base interactions energy: -1157.326
where: short stacking energy: -478.137
Base-Backbone interact. energy: -1.301
local terms energy: -516.498896
where:
bonds (distance) C4'-P energy: -100.850
bonds (distance) P-C4' energy: -97.628
flat angles C4'-P-C4' energy: -117.431
flat angles P-C4'-P energy: -73.767
tors. eta vs tors. theta energy: -126.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1588.584556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.584556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.584556 (E_RNA)
where:
Base-Base interactions energy: -1112.700
where: short stacking energy: -455.095
Base-Backbone interact. energy: -0.701
local terms energy: -475.183717
where:
bonds (distance) C4'-P energy: -93.735
bonds (distance) P-C4' energy: -89.729
flat angles C4'-P-C4' energy: -115.783
flat angles P-C4'-P energy: -55.536
tors. eta vs tors. theta energy: -120.401
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: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1530.620859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.620859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.620859 (E_RNA)
where:
Base-Base interactions energy: -1069.227
where: short stacking energy: -449.023
Base-Backbone interact. energy: -2.652
local terms energy: -458.742144
where:
bonds (distance) C4'-P energy: -84.604
bonds (distance) P-C4' energy: -84.775
flat angles C4'-P-C4' energy: -116.099
flat angles P-C4'-P energy: -58.949
tors. eta vs tors. theta energy: -114.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1462.281905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.281905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.281905 (E_RNA)
where:
Base-Base interactions energy: -1001.249
where: short stacking energy: -411.612
Base-Backbone interact. energy: -2.428
local terms energy: -458.604137
where:
bonds (distance) C4'-P energy: -85.116
bonds (distance) P-C4' energy: -101.513
flat angles C4'-P-C4' energy: -107.449
flat angles P-C4'-P energy: -60.745
tors. eta vs tors. theta energy: -103.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1434.587292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.587292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.587292 (E_RNA)
where:
Base-Base interactions energy: -999.513
where: short stacking energy: -426.403
Base-Backbone interact. energy: -1.456
local terms energy: -433.618589
where:
bonds (distance) C4'-P energy: -87.884
bonds (distance) P-C4' energy: -88.181
flat angles C4'-P-C4' energy: -93.415
flat angles P-C4'-P energy: -65.499
tors. eta vs tors. theta energy: -98.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1199.059355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.059355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.059355 (E_RNA)
where:
Base-Base interactions energy: -813.188
where: short stacking energy: -335.111
Base-Backbone interact. energy: 4.143
local terms energy: -390.014400
where:
bonds (distance) C4'-P energy: -99.982
bonds (distance) P-C4' energy: -65.062
flat angles C4'-P-C4' energy: -94.079
flat angles P-C4'-P energy: -47.973
tors. eta vs tors. theta energy: -82.918
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: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -843.424907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.424907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.424907 (E_RNA)
where:
Base-Base interactions energy: -506.242
where: short stacking energy: -244.413
Base-Backbone interact. energy: 0.606
local terms energy: -337.788247
where:
bonds (distance) C4'-P energy: -85.308
bonds (distance) P-C4' energy: -88.167
flat angles C4'-P-C4' energy: -75.401
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: -52.597
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: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -535.170966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.170966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.170966 (E_RNA)
where:
Base-Base interactions energy: -255.500
where: short stacking energy: -141.065
Base-Backbone interact. energy: -0.331
local terms energy: -279.339872
where:
bonds (distance) C4'-P energy: -96.512
bonds (distance) P-C4' energy: -102.152
flat angles C4'-P-C4' energy: -62.165
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: 9.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1835.320734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.320734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.320734 (E_RNA)
where:
Base-Base interactions energy: -1294.796
where: short stacking energy: -526.888
Base-Backbone interact. energy: -1.746
local terms energy: -538.779066
where:
bonds (distance) C4'-P energy: -97.630
bonds (distance) P-C4' energy: -103.233
flat angles C4'-P-C4' energy: -110.910
flat angles P-C4'-P energy: -81.453
tors. eta vs tors. theta energy: -145.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1816.787011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.787011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.787011 (E_RNA)
where:
Base-Base interactions energy: -1282.431
where: short stacking energy: -522.658
Base-Backbone interact. energy: -2.621
local terms energy: -531.734917
where:
bonds (distance) C4'-P energy: -93.313
bonds (distance) P-C4' energy: -107.181
flat angles C4'-P-C4' energy: -110.557
flat angles P-C4'-P energy: -83.725
tors. eta vs tors. theta energy: -136.960
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: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1710.476896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.476896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.476896 (E_RNA)
where:
Base-Base interactions energy: -1228.598
where: short stacking energy: -502.750
Base-Backbone interact. energy: -3.096
local terms energy: -478.782905
where:
bonds (distance) C4'-P energy: -96.080
bonds (distance) P-C4' energy: -80.916
flat angles C4'-P-C4' energy: -104.733
flat angles P-C4'-P energy: -65.078
tors. eta vs tors. theta energy: -131.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1580.448741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.448741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.448741 (E_RNA)
where:
Base-Base interactions energy: -1095.914
where: short stacking energy: -443.597
Base-Backbone interact. energy: -0.732
local terms energy: -483.802988
where:
bonds (distance) C4'-P energy: -97.918
bonds (distance) P-C4' energy: -104.057
flat angles C4'-P-C4' energy: -114.605
flat angles P-C4'-P energy: -59.026
tors. eta vs tors. theta energy: -108.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1551.996099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.996099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.996099 (E_RNA)
where:
Base-Base interactions energy: -1079.263
where: short stacking energy: -428.237
Base-Backbone interact. energy: 1.452
local terms energy: -474.185362
where:
bonds (distance) C4'-P energy: -105.958
bonds (distance) P-C4' energy: -86.207
flat angles C4'-P-C4' energy: -101.500
flat angles P-C4'-P energy: -59.627
tors. eta vs tors. theta energy: -120.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1471.666600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.666600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.666600 (E_RNA)
where:
Base-Base interactions energy: -1023.885
where: short stacking energy: -426.166
Base-Backbone interact. energy: -2.642
local terms energy: -445.139969
where:
bonds (distance) C4'-P energy: -74.390
bonds (distance) P-C4' energy: -80.106
flat angles C4'-P-C4' energy: -110.629
flat angles P-C4'-P energy: -77.864
tors. eta vs tors. theta energy: -102.151
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: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1336.952833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.952833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.952833 (E_RNA)
where:
Base-Base interactions energy: -926.880
where: short stacking energy: -376.124
Base-Backbone interact. energy: -1.259
local terms energy: -408.814063
where:
bonds (distance) C4'-P energy: -73.042
bonds (distance) P-C4' energy: -85.982
flat angles C4'-P-C4' energy: -92.612
flat angles P-C4'-P energy: -68.344
tors. eta vs tors. theta energy: -88.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1169.947280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.947280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.947280 (E_RNA)
where:
Base-Base interactions energy: -777.535
where: short stacking energy: -338.278
Base-Backbone interact. energy: -1.143
local terms energy: -391.268514
where:
bonds (distance) C4'-P energy: -87.137
bonds (distance) P-C4' energy: -78.748
flat angles C4'-P-C4' energy: -86.829
flat angles P-C4'-P energy: -52.943
tors. eta vs tors. theta energy: -85.611
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: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -752.897443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.897443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.897443 (E_RNA)
where:
Base-Base interactions energy: -451.841
where: short stacking energy: -210.193
Base-Backbone interact. energy: -2.052
local terms energy: -299.004637
where:
bonds (distance) C4'-P energy: -83.173
bonds (distance) P-C4' energy: -77.101
flat angles C4'-P-C4' energy: -73.945
flat angles P-C4'-P energy: -40.097
tors. eta vs tors. theta energy: -24.689
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: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -579.997238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.997238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.997238 (E_RNA)
where:
Base-Base interactions energy: -287.348
where: short stacking energy: -161.869
Base-Backbone interact. energy: -0.196
local terms energy: -292.453408
where:
bonds (distance) C4'-P energy: -91.197
bonds (distance) P-C4' energy: -91.314
flat angles C4'-P-C4' energy: -63.129
flat angles P-C4'-P energy: -52.609
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: 443
Temperature: 0.900000
Total energy: -1838.458167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.458167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.458167 (E_RNA)
where:
Base-Base interactions energy: -1305.356
where: short stacking energy: -529.744
Base-Backbone interact. energy: -5.891
local terms energy: -527.210890
where:
bonds (distance) C4'-P energy: -98.138
bonds (distance) P-C4' energy: -89.793
flat angles C4'-P-C4' energy: -116.327
flat angles P-C4'-P energy: -74.867
tors. eta vs tors. theta energy: -148.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1824.517005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.517005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.517005 (E_RNA)
where:
Base-Base interactions energy: -1307.849
where: short stacking energy: -524.598
Base-Backbone interact. energy: -2.587
local terms energy: -514.081457
where:
bonds (distance) C4'-P energy: -84.297
bonds (distance) P-C4' energy: -98.055
flat angles C4'-P-C4' energy: -115.737
flat angles P-C4'-P energy: -76.234
tors. eta vs tors. theta energy: -139.758
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: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1698.202620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.202620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.202620 (E_RNA)
where:
Base-Base interactions energy: -1205.545
where: short stacking energy: -483.192
Base-Backbone interact. energy: -1.427
local terms energy: -491.230726
where:
bonds (distance) C4'-P energy: -98.844
bonds (distance) P-C4' energy: -95.730
flat angles C4'-P-C4' energy: -114.520
flat angles P-C4'-P energy: -61.469
tors. eta vs tors. theta energy: -120.668
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: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1598.908487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.908487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.908487 (E_RNA)
where:
Base-Base interactions energy: -1100.676
where: short stacking energy: -443.428
Base-Backbone interact. energy: -2.085
local terms energy: -496.147778
where:
bonds (distance) C4'-P energy: -99.117
bonds (distance) P-C4' energy: -93.842
flat angles C4'-P-C4' energy: -115.109
flat angles P-C4'-P energy: -66.239
tors. eta vs tors. theta energy: -121.840
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: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1552.431751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.431751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.431751 (E_RNA)
where:
Base-Base interactions energy: -1091.307
where: short stacking energy: -447.076
Base-Backbone interact. energy: -1.779
local terms energy: -459.345070
where:
bonds (distance) C4'-P energy: -84.008
bonds (distance) P-C4' energy: -93.498
flat angles C4'-P-C4' energy: -97.108
flat angles P-C4'-P energy: -66.632
tors. eta vs tors. theta energy: -118.098
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: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1435.197242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.197242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.197242 (E_RNA)
where:
Base-Base interactions energy: -1013.988
where: short stacking energy: -426.689
Base-Backbone interact. energy: 5.074
local terms energy: -426.283122
where:
bonds (distance) C4'-P energy: -70.366
bonds (distance) P-C4' energy: -85.458
flat angles C4'-P-C4' energy: -88.505
flat angles P-C4'-P energy: -68.060
tors. eta vs tors. theta energy: -113.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1407.937987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.937987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.937987 (E_RNA)
where:
Base-Base interactions energy: -976.414
where: short stacking energy: -408.969
Base-Backbone interact. energy: -2.146
local terms energy: -429.377733
where:
bonds (distance) C4'-P energy: -80.367
bonds (distance) P-C4' energy: -83.302
flat angles C4'-P-C4' energy: -111.121
flat angles P-C4'-P energy: -54.826
tors. eta vs tors. theta energy: -99.762
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: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1193.165762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.165762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.165762 (E_RNA)
where:
Base-Base interactions energy: -799.805
where: short stacking energy: -361.746
Base-Backbone interact. energy: 1.551
local terms energy: -394.912173
where:
bonds (distance) C4'-P energy: -65.385
bonds (distance) P-C4' energy: -100.599
flat angles C4'-P-C4' energy: -88.613
flat angles P-C4'-P energy: -64.778
tors. eta vs tors. theta energy: -75.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -813.645099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.645099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.645099 (E_RNA)
where:
Base-Base interactions energy: -477.802
where: short stacking energy: -242.752
Base-Backbone interact. energy: -3.371
local terms energy: -332.471701
where:
bonds (distance) C4'-P energy: -80.534
bonds (distance) P-C4' energy: -87.300
flat angles C4'-P-C4' energy: -79.742
flat angles P-C4'-P energy: -47.785
tors. eta vs tors. theta energy: -37.112
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: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -551.996685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.996685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.996685 (E_RNA)
where:
Base-Base interactions energy: -265.624
where: short stacking energy: -144.315
Base-Backbone interact. energy: -0.748
local terms energy: -285.625039
where:
bonds (distance) C4'-P energy: -89.376
bonds (distance) P-C4' energy: -98.063
flat angles C4'-P-C4' energy: -82.683
flat angles P-C4'-P energy: -32.184
tors. eta vs tors. theta energy: 16.682
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: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1860.521218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.521218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.521218 (E_RNA)
where:
Base-Base interactions energy: -1316.835
where: short stacking energy: -516.102
Base-Backbone interact. energy: -7.711
local terms energy: -535.974872
where:
bonds (distance) C4'-P energy: -92.017
bonds (distance) P-C4' energy: -110.067
flat angles C4'-P-C4' energy: -122.699
flat angles P-C4'-P energy: -66.380
tors. eta vs tors. theta energy: -144.812
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: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1817.631517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.631517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.631517 (E_RNA)
where:
Base-Base interactions energy: -1288.323
where: short stacking energy: -497.311
Base-Backbone interact. energy: -3.065
local terms energy: -526.243076
where:
bonds (distance) C4'-P energy: -108.815
bonds (distance) P-C4' energy: -98.045
flat angles C4'-P-C4' energy: -111.840
flat angles P-C4'-P energy: -78.350
tors. eta vs tors. theta energy: -129.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1691.556323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.556323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.556323 (E_RNA)
where:
Base-Base interactions energy: -1191.165
where: short stacking energy: -478.495
Base-Backbone interact. energy: -0.671
local terms energy: -499.719786
where:
bonds (distance) C4'-P energy: -87.982
bonds (distance) P-C4' energy: -96.784
flat angles C4'-P-C4' energy: -112.817
flat angles P-C4'-P energy: -75.683
tors. eta vs tors. theta energy: -126.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1592.909696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.909696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.909696 (E_RNA)
where:
Base-Base interactions energy: -1098.724
where: short stacking energy: -462.060
Base-Backbone interact. energy: 0.294
local terms energy: -494.479977
where:
bonds (distance) C4'-P energy: -93.864
bonds (distance) P-C4' energy: -92.748
flat angles C4'-P-C4' energy: -113.261
flat angles P-C4'-P energy: -71.616
tors. eta vs tors. theta energy: -122.992
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: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1562.913020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.913020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.913020 (E_RNA)
where:
Base-Base interactions energy: -1087.241
where: short stacking energy: -446.469
Base-Backbone interact. energy: -0.899
local terms energy: -474.773058
where:
bonds (distance) C4'-P energy: -90.706
bonds (distance) P-C4' energy: -85.684
flat angles C4'-P-C4' energy: -104.757
flat angles P-C4'-P energy: -65.527
tors. eta vs tors. theta energy: -128.098
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: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1405.787149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.787149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.787149 (E_RNA)
where:
Base-Base interactions energy: -977.710
where: short stacking energy: -422.277
Base-Backbone interact. energy: 2.763
local terms energy: -430.839564
where:
bonds (distance) C4'-P energy: -73.879
bonds (distance) P-C4' energy: -90.572
flat angles C4'-P-C4' energy: -91.843
flat angles P-C4'-P energy: -69.926
tors. eta vs tors. theta energy: -104.620
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: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1303.300063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.300063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.300063 (E_RNA)
where:
Base-Base interactions energy: -889.417
where: short stacking energy: -350.560
Base-Backbone interact. energy: 1.603
local terms energy: -415.486943
where:
bonds (distance) C4'-P energy: -88.468
bonds (distance) P-C4' energy: -80.760
flat angles C4'-P-C4' energy: -101.078
flat angles P-C4'-P energy: -65.745
tors. eta vs tors. theta energy: -79.436
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: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1193.562488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.562488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.562488 (E_RNA)
where:
Base-Base interactions energy: -788.904
where: short stacking energy: -335.670
Base-Backbone interact. energy: -2.085
local terms energy: -402.573568
where:
bonds (distance) C4'-P energy: -88.529
bonds (distance) P-C4' energy: -91.858
flat angles C4'-P-C4' energy: -84.376
flat angles P-C4'-P energy: -64.002
tors. eta vs tors. theta energy: -73.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -769.682902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.682902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.682902 (E_RNA)
where:
Base-Base interactions energy: -416.962
where: short stacking energy: -211.868
Base-Backbone interact. energy: -0.052
local terms energy: -352.669135
where:
bonds (distance) C4'-P energy: -73.654
bonds (distance) P-C4' energy: -95.538
flat angles C4'-P-C4' energy: -82.147
flat angles P-C4'-P energy: -55.767
tors. eta vs tors. theta energy: -45.562
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: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -539.400843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.400843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.400843 (E_RNA)
where:
Base-Base interactions energy: -254.780
where: short stacking energy: -143.676
Base-Backbone interact. energy: -1.628
local terms energy: -282.992801
where:
bonds (distance) C4'-P energy: -78.807
bonds (distance) P-C4' energy: -84.666
flat angles C4'-P-C4' energy: -74.862
flat angles P-C4'-P energy: -42.837
tors. eta vs tors. theta energy: -1.820
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: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1878.455075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.455075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.455075 (E_RNA)
where:
Base-Base interactions energy: -1346.551
where: short stacking energy: -543.320
Base-Backbone interact. energy: -3.614
local terms energy: -528.290017
where:
bonds (distance) C4'-P energy: -104.441
bonds (distance) P-C4' energy: -89.730
flat angles C4'-P-C4' energy: -102.783
flat angles P-C4'-P energy: -83.211
tors. eta vs tors. theta energy: -148.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1858.821453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.821453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.821453 (E_RNA)
where:
Base-Base interactions energy: -1328.431
where: short stacking energy: -543.509
Base-Backbone interact. energy: -3.556
local terms energy: -526.833664
where:
bonds (distance) C4'-P energy: -85.231
bonds (distance) P-C4' energy: -105.360
flat angles C4'-P-C4' energy: -122.034
flat angles P-C4'-P energy: -72.955
tors. eta vs tors. theta energy: -141.254
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: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1687.541650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.541650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.541650 (E_RNA)
where:
Base-Base interactions energy: -1186.822
where: short stacking energy: -471.896
Base-Backbone interact. energy: -1.720
local terms energy: -499.000133
where:
bonds (distance) C4'-P energy: -103.288
bonds (distance) P-C4' energy: -103.972
flat angles C4'-P-C4' energy: -99.021
flat angles P-C4'-P energy: -71.504
tors. eta vs tors. theta energy: -121.215
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: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1598.281963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.281963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.281963 (E_RNA)
where:
Base-Base interactions energy: -1120.977
where: short stacking energy: -459.758
Base-Backbone interact. energy: 4.709
local terms energy: -482.013432
where:
bonds (distance) C4'-P energy: -90.763
bonds (distance) P-C4' energy: -89.054
flat angles C4'-P-C4' energy: -102.945
flat angles P-C4'-P energy: -72.048
tors. eta vs tors. theta energy: -127.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1545.849086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.849086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.849086 (E_RNA)
where:
Base-Base interactions energy: -1084.079
where: short stacking energy: -447.894
Base-Backbone interact. energy: -1.799
local terms energy: -459.971636
where:
bonds (distance) C4'-P energy: -99.213
bonds (distance) P-C4' energy: -79.573
flat angles C4'-P-C4' energy: -102.801
flat angles P-C4'-P energy: -62.120
tors. eta vs tors. theta energy: -116.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1420.988065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.988065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.988065 (E_RNA)
where:
Base-Base interactions energy: -966.504
where: short stacking energy: -414.276
Base-Backbone interact. energy: 1.246
local terms energy: -455.729756
where:
bonds (distance) C4'-P energy: -76.547
bonds (distance) P-C4' energy: -88.921
flat angles C4'-P-C4' energy: -109.958
flat angles P-C4'-P energy: -70.084
tors. eta vs tors. theta energy: -110.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1352.448373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.448373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.448373 (E_RNA)
where:
Base-Base interactions energy: -955.577
where: short stacking energy: -404.306
Base-Backbone interact. energy: 2.434
local terms energy: -399.305265
where:
bonds (distance) C4'-P energy: -74.714
bonds (distance) P-C4' energy: -86.175
flat angles C4'-P-C4' energy: -96.472
flat angles P-C4'-P energy: -50.162
tors. eta vs tors. theta energy: -91.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1154.403129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.403129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.403129 (E_RNA)
where:
Base-Base interactions energy: -774.337
where: short stacking energy: -334.057
Base-Backbone interact. energy: -1.113
local terms energy: -378.953296
where:
bonds (distance) C4'-P energy: -80.305
bonds (distance) P-C4' energy: -78.779
flat angles C4'-P-C4' energy: -90.498
flat angles P-C4'-P energy: -52.402
tors. eta vs tors. theta energy: -76.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -821.629730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.629730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.629730 (E_RNA)
where:
Base-Base interactions energy: -476.644
where: short stacking energy: -237.779
Base-Backbone interact. energy: 4.510
local terms energy: -349.496134
where:
bonds (distance) C4'-P energy: -87.188
bonds (distance) P-C4' energy: -82.898
flat angles C4'-P-C4' energy: -85.427
flat angles P-C4'-P energy: -63.104
tors. eta vs tors. theta energy: -30.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -553.087632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.087632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.087632 (E_RNA)
where:
Base-Base interactions energy: -274.407
where: short stacking energy: -184.077
Base-Backbone interact. energy: 0.449
local terms energy: -279.129986
where:
bonds (distance) C4'-P energy: -68.213
bonds (distance) P-C4' energy: -77.233
flat angles C4'-P-C4' energy: -73.672
flat angles P-C4'-P energy: -52.613
tors. eta vs tors. theta energy: -7.399
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: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1854.423040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.423040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.423040 (E_RNA)
where:
Base-Base interactions energy: -1294.615
where: short stacking energy: -514.667
Base-Backbone interact. energy: -2.726
local terms energy: -557.082492
where:
bonds (distance) C4'-P energy: -103.717
bonds (distance) P-C4' energy: -118.748
flat angles C4'-P-C4' energy: -118.433
flat angles P-C4'-P energy: -76.964
tors. eta vs tors. theta energy: -139.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1813.706658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.706658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.706658 (E_RNA)
where:
Base-Base interactions energy: -1281.941
where: short stacking energy: -534.625
Base-Backbone interact. energy: -0.294
local terms energy: -531.471960
where:
bonds (distance) C4'-P energy: -83.463
bonds (distance) P-C4' energy: -103.241
flat angles C4'-P-C4' energy: -116.934
flat angles P-C4'-P energy: -77.584
tors. eta vs tors. theta energy: -150.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1697.978001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.978001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.978001 (E_RNA)
where:
Base-Base interactions energy: -1207.607
where: short stacking energy: -496.797
Base-Backbone interact. energy: -0.773
local terms energy: -489.598566
where:
bonds (distance) C4'-P energy: -95.783
bonds (distance) P-C4' energy: -95.695
flat angles C4'-P-C4' energy: -101.473
flat angles P-C4'-P energy: -70.173
tors. eta vs tors. theta energy: -126.475
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: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1611.257344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.257344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.257344 (E_RNA)
where:
Base-Base interactions energy: -1138.624
where: short stacking energy: -459.596
Base-Backbone interact. energy: -1.974
local terms energy: -470.659749
where:
bonds (distance) C4'-P energy: -86.845
bonds (distance) P-C4' energy: -96.768
flat angles C4'-P-C4' energy: -98.688
flat angles P-C4'-P energy: -68.948
tors. eta vs tors. theta energy: -119.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1510.704140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.704140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.704140 (E_RNA)
where:
Base-Base interactions energy: -1047.704
where: short stacking energy: -448.563
Base-Backbone interact. energy: 0.987
local terms energy: -463.987517
where:
bonds (distance) C4'-P energy: -92.953
bonds (distance) P-C4' energy: -93.400
flat angles C4'-P-C4' energy: -93.410
flat angles P-C4'-P energy: -56.724
tors. eta vs tors. theta energy: -127.500
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: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1535.391170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.391170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.391170 (E_RNA)
where:
Base-Base interactions energy: -1064.546
where: short stacking energy: -468.103
Base-Backbone interact. energy: 1.630
local terms energy: -472.474839
where:
bonds (distance) C4'-P energy: -84.039
bonds (distance) P-C4' energy: -95.966
flat angles C4'-P-C4' energy: -112.291
flat angles P-C4'-P energy: -55.031
tors. eta vs tors. theta energy: -125.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1347.229630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.229630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.229630 (E_RNA)
where:
Base-Base interactions energy: -933.379
where: short stacking energy: -403.052
Base-Backbone interact. energy: 3.000
local terms energy: -416.850952
where:
bonds (distance) C4'-P energy: -73.050
bonds (distance) P-C4' energy: -94.513
flat angles C4'-P-C4' energy: -91.993
flat angles P-C4'-P energy: -66.780
tors. eta vs tors. theta energy: -90.515
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: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1115.302963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.302963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.302963 (E_RNA)
where:
Base-Base interactions energy: -734.780
where: short stacking energy: -305.339
Base-Backbone interact. energy: -2.768
local terms energy: -377.754989
where:
bonds (distance) C4'-P energy: -81.494
bonds (distance) P-C4' energy: -78.808
flat angles C4'-P-C4' energy: -93.792
flat angles P-C4'-P energy: -65.456
tors. eta vs tors. theta energy: -58.204
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: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -811.617343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.617343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.617343 (E_RNA)
where:
Base-Base interactions energy: -479.024
where: short stacking energy: -202.881
Base-Backbone interact. energy: -0.463
local terms energy: -332.130101
where:
bonds (distance) C4'-P energy: -84.077
bonds (distance) P-C4' energy: -93.784
flat angles C4'-P-C4' energy: -85.243
flat angles P-C4'-P energy: -45.777
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -553.643984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.643984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.643984 (E_RNA)
where:
Base-Base interactions energy: -259.295
where: short stacking energy: -164.400
Base-Backbone interact. energy: -1.237
local terms energy: -293.111861
where:
bonds (distance) C4'-P energy: -77.319
bonds (distance) P-C4' energy: -85.698
flat angles C4'-P-C4' energy: -80.405
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1868.566343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.566343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.566343 (E_RNA)
where:
Base-Base interactions energy: -1314.852
where: short stacking energy: -534.735
Base-Backbone interact. energy: -7.103
local terms energy: -546.611848
where:
bonds (distance) C4'-P energy: -106.590
bonds (distance) P-C4' energy: -105.989
flat angles C4'-P-C4' energy: -119.171
flat angles P-C4'-P energy: -69.095
tors. eta vs tors. theta energy: -145.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1819.428569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.428569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.428569 (E_RNA)
where:
Base-Base interactions energy: -1289.875
where: short stacking energy: -533.762
Base-Backbone interact. energy: -5.472
local terms energy: -524.082272
where:
bonds (distance) C4'-P energy: -100.600
bonds (distance) P-C4' energy: -105.098
flat angles C4'-P-C4' energy: -111.762
flat angles P-C4'-P energy: -64.495
tors. eta vs tors. theta energy: -142.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1698.168793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.168793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.168793 (E_RNA)
where:
Base-Base interactions energy: -1186.060
where: short stacking energy: -480.331
Base-Backbone interact. energy: -2.501
local terms energy: -509.607207
where:
bonds (distance) C4'-P energy: -101.969
bonds (distance) P-C4' energy: -94.655
flat angles C4'-P-C4' energy: -112.118
flat angles P-C4'-P energy: -71.637
tors. eta vs tors. theta energy: -129.227
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: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1635.255226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.255226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.255226 (E_RNA)
where:
Base-Base interactions energy: -1149.705
where: short stacking energy: -460.474
Base-Backbone interact. energy: -3.862
local terms energy: -481.688015
where:
bonds (distance) C4'-P energy: -88.559
bonds (distance) P-C4' energy: -97.669
flat angles C4'-P-C4' energy: -98.096
flat angles P-C4'-P energy: -69.248
tors. eta vs tors. theta energy: -128.115
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: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1535.224487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.224487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.224487 (E_RNA)
where:
Base-Base interactions energy: -1054.729
where: short stacking energy: -480.868
Base-Backbone interact. energy: 0.298
local terms energy: -480.793013
where:
bonds (distance) C4'-P energy: -92.078
bonds (distance) P-C4' energy: -92.868
flat angles C4'-P-C4' energy: -99.441
flat angles P-C4'-P energy: -63.092
tors. eta vs tors. theta energy: -133.314
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: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1498.126424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.126424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.126424 (E_RNA)
where:
Base-Base interactions energy: -1038.421
where: short stacking energy: -429.675
Base-Backbone interact. energy: -0.992
local terms energy: -458.713625
where:
bonds (distance) C4'-P energy: -82.147
bonds (distance) P-C4' energy: -102.850
flat angles C4'-P-C4' energy: -102.373
flat angles P-C4'-P energy: -66.900
tors. eta vs tors. theta energy: -104.444
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: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1296.686255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.686255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.686255 (E_RNA)
where:
Base-Base interactions energy: -895.286
where: short stacking energy: -357.593
Base-Backbone interact. energy: -1.449
local terms energy: -399.951738
where:
bonds (distance) C4'-P energy: -97.894
bonds (distance) P-C4' energy: -80.868
flat angles C4'-P-C4' energy: -94.487
flat angles P-C4'-P energy: -54.671
tors. eta vs tors. theta energy: -72.031
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: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1109.854998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.854998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.854998 (E_RNA)
where:
Base-Base interactions energy: -737.926
where: short stacking energy: -317.408
Base-Backbone interact. energy: 0.091
local terms energy: -372.020615
where:
bonds (distance) C4'-P energy: -92.719
bonds (distance) P-C4' energy: -82.816
flat angles C4'-P-C4' energy: -92.535
flat angles P-C4'-P energy: -43.387
tors. eta vs tors. theta energy: -60.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -772.314109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.314109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.314109 (E_RNA)
where:
Base-Base interactions energy: -476.500
where: short stacking energy: -220.732
Base-Backbone interact. energy: -1.839
local terms energy: -293.975022
where:
bonds (distance) C4'-P energy: -89.994
bonds (distance) P-C4' energy: -72.986
flat angles C4'-P-C4' energy: -75.873
flat angles P-C4'-P energy: -40.624
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: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -618.629152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.629152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.629152 (E_RNA)
where:
Base-Base interactions energy: -316.443
where: short stacking energy: -181.474
Base-Backbone interact. energy: -0.198
local terms energy: -301.987999
where:
bonds (distance) C4'-P energy: -85.718
bonds (distance) P-C4' energy: -83.450
flat angles C4'-P-C4' energy: -78.504
flat angles P-C4'-P energy: -39.281
tors. eta vs tors. theta energy: -15.035
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: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1870.986836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.986836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.986836 (E_RNA)
where:
Base-Base interactions energy: -1334.463
where: short stacking energy: -513.278
Base-Backbone interact. energy: -4.421
local terms energy: -532.102802
where:
bonds (distance) C4'-P energy: -93.500
bonds (distance) P-C4' energy: -100.150
flat angles C4'-P-C4' energy: -112.263
flat angles P-C4'-P energy: -82.789
tors. eta vs tors. theta energy: -143.402
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: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1796.542813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.542813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.542813 (E_RNA)
where:
Base-Base interactions energy: -1268.769
where: short stacking energy: -514.929
Base-Backbone interact. energy: -3.209
local terms energy: -524.564891
where:
bonds (distance) C4'-P energy: -89.700
bonds (distance) P-C4' energy: -103.126
flat angles C4'-P-C4' energy: -111.778
flat angles P-C4'-P energy: -71.985
tors. eta vs tors. theta energy: -147.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1674.084008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.084008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.084008 (E_RNA)
where:
Base-Base interactions energy: -1186.617
where: short stacking energy: -462.812
Base-Backbone interact. energy: -1.913
local terms energy: -485.554089
where:
bonds (distance) C4'-P energy: -94.423
bonds (distance) P-C4' energy: -97.208
flat angles C4'-P-C4' energy: -101.701
flat angles P-C4'-P energy: -65.157
tors. eta vs tors. theta energy: -127.064
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: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1582.114188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.114188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.114188 (E_RNA)
where:
Base-Base interactions energy: -1097.255
where: short stacking energy: -449.703
Base-Backbone interact. energy: 0.712
local terms energy: -485.571731
where:
bonds (distance) C4'-P energy: -95.353
bonds (distance) P-C4' energy: -92.784
flat angles C4'-P-C4' energy: -112.488
flat angles P-C4'-P energy: -71.713
tors. eta vs tors. theta energy: -113.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1534.377379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.377379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.377379 (E_RNA)
where:
Base-Base interactions energy: -1088.819
where: short stacking energy: -445.843
Base-Backbone interact. energy: 2.648
local terms energy: -448.206709
where:
bonds (distance) C4'-P energy: -75.462
bonds (distance) P-C4' energy: -79.128
flat angles C4'-P-C4' energy: -108.484
flat angles P-C4'-P energy: -77.373
tors. eta vs tors. theta energy: -107.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1460.406803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.406803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.406803 (E_RNA)
where:
Base-Base interactions energy: -996.810
where: short stacking energy: -422.763
Base-Backbone interact. energy: -0.672
local terms energy: -462.924707
where:
bonds (distance) C4'-P energy: -88.089
bonds (distance) P-C4' energy: -91.088
flat angles C4'-P-C4' energy: -101.541
flat angles P-C4'-P energy: -69.614
tors. eta vs tors. theta energy: -112.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1332.715303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.715303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.715303 (E_RNA)
where:
Base-Base interactions energy: -944.920
where: short stacking energy: -407.538
Base-Backbone interact. energy: -3.833
local terms energy: -383.961978
where:
bonds (distance) C4'-P energy: -71.682
bonds (distance) P-C4' energy: -80.630
flat angles C4'-P-C4' energy: -103.178
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: -77.227
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: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1141.098387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.098387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.098387 (E_RNA)
where:
Base-Base interactions energy: -748.645
where: short stacking energy: -335.357
Base-Backbone interact. energy: 0.081
local terms energy: -392.534177
where:
bonds (distance) C4'-P energy: -87.694
bonds (distance) P-C4' energy: -90.808
flat angles C4'-P-C4' energy: -87.727
flat angles P-C4'-P energy: -61.168
tors. eta vs tors. theta energy: -65.137
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: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -854.822089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.822089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.822089 (E_RNA)
where:
Base-Base interactions energy: -519.391
where: short stacking energy: -234.791
Base-Backbone interact. energy: -1.713
local terms energy: -333.718040
where:
bonds (distance) C4'-P energy: -93.141
bonds (distance) P-C4' energy: -79.038
flat angles C4'-P-C4' energy: -75.361
flat angles P-C4'-P energy: -49.578
tors. eta vs tors. theta energy: -36.601
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: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -619.326360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.326360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.326360 (E_RNA)
where:
Base-Base interactions energy: -325.362
where: short stacking energy: -188.478
Base-Backbone interact. energy: -1.681
local terms energy: -292.283616
where:
bonds (distance) C4'-P energy: -75.546
bonds (distance) P-C4' energy: -79.694
flat angles C4'-P-C4' energy: -86.291
flat angles P-C4'-P energy: -37.180
tors. eta vs tors. theta energy: -13.572
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: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1865.203425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.203425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.203425 (E_RNA)
where:
Base-Base interactions energy: -1321.080
where: short stacking energy: -515.693
Base-Backbone interact. energy: -3.376
local terms energy: -540.747142
where:
bonds (distance) C4'-P energy: -104.297
bonds (distance) P-C4' energy: -89.360
flat angles C4'-P-C4' energy: -116.080
flat angles P-C4'-P energy: -90.968
tors. eta vs tors. theta energy: -140.043
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: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1826.309761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.309761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.309761 (E_RNA)
where:
Base-Base interactions energy: -1291.443
where: short stacking energy: -525.459
Base-Backbone interact. energy: -3.762
local terms energy: -531.105155
where:
bonds (distance) C4'-P energy: -99.214
bonds (distance) P-C4' energy: -99.402
flat angles C4'-P-C4' energy: -115.315
flat angles P-C4'-P energy: -72.496
tors. eta vs tors. theta energy: -144.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1696.678528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.678528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.678528 (E_RNA)
where:
Base-Base interactions energy: -1204.729
where: short stacking energy: -498.532
Base-Backbone interact. energy: -3.710
local terms energy: -488.239218
where:
bonds (distance) C4'-P energy: -85.113
bonds (distance) P-C4' energy: -96.163
flat angles C4'-P-C4' energy: -98.440
flat angles P-C4'-P energy: -80.515
tors. eta vs tors. theta energy: -128.008
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: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1597.340492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.340492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.340492 (E_RNA)
where:
Base-Base interactions energy: -1125.499
where: short stacking energy: -452.542
Base-Backbone interact. energy: -1.498
local terms energy: -470.344335
where:
bonds (distance) C4'-P energy: -81.628
bonds (distance) P-C4' energy: -94.831
flat angles C4'-P-C4' energy: -109.537
flat angles P-C4'-P energy: -59.553
tors. eta vs tors. theta energy: -124.795
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: 449
Temperature: 1.100000
Total energy: -1540.714917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.714917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.714917 (E_RNA)
where:
Base-Base interactions energy: -1056.500
where: short stacking energy: -428.644
Base-Backbone interact. energy: -2.304
local terms energy: -481.911834
where:
bonds (distance) C4'-P energy: -91.236
bonds (distance) P-C4' energy: -83.464
flat angles C4'-P-C4' energy: -112.153
flat angles P-C4'-P energy: -80.226
tors. eta vs tors. theta energy: -114.832
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: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1429.943219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.943219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.943219 (E_RNA)
where:
Base-Base interactions energy: -946.429
where: short stacking energy: -417.172
Base-Backbone interact. energy: -1.538
local terms energy: -481.976383
where:
bonds (distance) C4'-P energy: -86.590
bonds (distance) P-C4' energy: -103.214
flat angles C4'-P-C4' energy: -105.418
flat angles P-C4'-P energy: -76.101
tors. eta vs tors. theta energy: -110.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1294.033638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.033638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.033638 (E_RNA)
where:
Base-Base interactions energy: -888.204
where: short stacking energy: -380.019
Base-Backbone interact. energy: -0.622
local terms energy: -405.207706
where:
bonds (distance) C4'-P energy: -78.290
bonds (distance) P-C4' energy: -92.349
flat angles C4'-P-C4' energy: -105.944
flat angles P-C4'-P energy: -49.700
tors. eta vs tors. theta energy: -78.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1129.877102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.877102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.877102 (E_RNA)
where:
Base-Base interactions energy: -778.906
where: short stacking energy: -336.737
Base-Backbone interact. energy: -2.454
local terms energy: -348.517117
where:
bonds (distance) C4'-P energy: -71.195
bonds (distance) P-C4' energy: -80.513
flat angles C4'-P-C4' energy: -78.979
flat angles P-C4'-P energy: -53.599
tors. eta vs tors. theta energy: -64.232
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: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -868.966341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.966341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.966341 (E_RNA)
where:
Base-Base interactions energy: -543.277
where: short stacking energy: -254.432
Base-Backbone interact. energy: -1.258
local terms energy: -324.431030
where:
bonds (distance) C4'-P energy: -83.941
bonds (distance) P-C4' energy: -90.425
flat angles C4'-P-C4' energy: -76.316
flat angles P-C4'-P energy: -47.300
tors. eta vs tors. theta energy: -26.450
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: 449
Temperature: 1.350000
Total energy: -594.804533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.804533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.804533 (E_RNA)
where:
Base-Base interactions energy: -331.298
where: short stacking energy: -200.836
Base-Backbone interact. energy: 7.565
local terms energy: -271.071225
where:
bonds (distance) C4'-P energy: -77.963
bonds (distance) P-C4' energy: -68.367
flat angles C4'-P-C4' energy: -80.543
flat angles P-C4'-P energy: -35.421
tors. eta vs tors. theta energy: -8.777
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: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1877.621112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.621112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.621112 (E_RNA)
where:
Base-Base interactions energy: -1330.309
where: short stacking energy: -526.468
Base-Backbone interact. energy: -4.138
local terms energy: -543.174035
where:
bonds (distance) C4'-P energy: -109.373
bonds (distance) P-C4' energy: -103.444
flat angles C4'-P-C4' energy: -106.930
flat angles P-C4'-P energy: -86.342
tors. eta vs tors. theta energy: -137.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1790.748087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.748087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.748087 (E_RNA)
where:
Base-Base interactions energy: -1252.478
where: short stacking energy: -492.955
Base-Backbone interact. energy: -4.934
local terms energy: -533.335898
where:
bonds (distance) C4'-P energy: -99.432
bonds (distance) P-C4' energy: -106.213
flat angles C4'-P-C4' energy: -107.789
flat angles P-C4'-P energy: -85.330
tors. eta vs tors. theta energy: -134.572
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: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1702.764906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.764906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.764906 (E_RNA)
where:
Base-Base interactions energy: -1190.055
where: short stacking energy: -499.370
Base-Backbone interact. energy: -0.794
local terms energy: -511.915310
where:
bonds (distance) C4'-P energy: -98.339
bonds (distance) P-C4' energy: -106.568
flat angles C4'-P-C4' energy: -109.656
flat angles P-C4'-P energy: -67.432
tors. eta vs tors. theta energy: -129.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1627.445222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.445222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.445222 (E_RNA)
where:
Base-Base interactions energy: -1135.745
where: short stacking energy: -479.864
Base-Backbone interact. energy: -5.234
local terms energy: -486.466150
where:
bonds (distance) C4'-P energy: -99.522
bonds (distance) P-C4' energy: -86.952
flat angles C4'-P-C4' energy: -102.714
flat angles P-C4'-P energy: -68.767
tors. eta vs tors. theta energy: -128.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1549.428496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.428496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.428496 (E_RNA)
where:
Base-Base interactions energy: -1087.256
where: short stacking energy: -446.313
Base-Backbone interact. energy: -3.096
local terms energy: -459.076848
where:
bonds (distance) C4'-P energy: -91.459
bonds (distance) P-C4' energy: -95.712
flat angles C4'-P-C4' energy: -96.725
flat angles P-C4'-P energy: -53.122
tors. eta vs tors. theta energy: -122.058
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: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1443.948356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.948356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.948356 (E_RNA)
where:
Base-Base interactions energy: -1006.212
where: short stacking energy: -434.404
Base-Backbone interact. energy: -0.153
local terms energy: -437.583052
where:
bonds (distance) C4'-P energy: -85.360
bonds (distance) P-C4' energy: -92.609
flat angles C4'-P-C4' energy: -102.408
flat angles P-C4'-P energy: -52.758
tors. eta vs tors. theta energy: -104.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1351.157823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.157823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.157823 (E_RNA)
where:
Base-Base interactions energy: -923.119
where: short stacking energy: -398.104
Base-Backbone interact. energy: -2.791
local terms energy: -425.248137
where:
bonds (distance) C4'-P energy: -80.097
bonds (distance) P-C4' energy: -80.893
flat angles C4'-P-C4' energy: -104.702
flat angles P-C4'-P energy: -62.046
tors. eta vs tors. theta energy: -97.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1064.816650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.816650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.816650 (E_RNA)
where:
Base-Base interactions energy: -705.382
where: short stacking energy: -290.959
Base-Backbone interact. energy: 1.321
local terms energy: -360.755402
where:
bonds (distance) C4'-P energy: -84.906
bonds (distance) P-C4' energy: -80.459
flat angles C4'-P-C4' energy: -94.243
flat angles P-C4'-P energy: -49.429
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: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -904.287113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.287113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.287113 (E_RNA)
where:
Base-Base interactions energy: -573.940
where: short stacking energy: -262.678
Base-Backbone interact. energy: -2.081
local terms energy: -328.266224
where:
bonds (distance) C4'-P energy: -71.145
bonds (distance) P-C4' energy: -93.094
flat angles C4'-P-C4' energy: -75.903
flat angles P-C4'-P energy: -55.142
tors. eta vs tors. theta energy: -32.982
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: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -657.031577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.031577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.031577 (E_RNA)
where:
Base-Base interactions energy: -354.815
where: short stacking energy: -163.249
Base-Backbone interact. energy: 1.771
local terms energy: -303.988293
where:
bonds (distance) C4'-P energy: -83.413
bonds (distance) P-C4' energy: -92.128
flat angles C4'-P-C4' energy: -62.379
flat angles P-C4'-P energy: -54.590
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1876.513352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.513352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.513352 (E_RNA)
where:
Base-Base interactions energy: -1335.018
where: short stacking energy: -523.588
Base-Backbone interact. energy: -0.217
local terms energy: -541.278711
where:
bonds (distance) C4'-P energy: -92.700
bonds (distance) P-C4' energy: -102.651
flat angles C4'-P-C4' energy: -120.964
flat angles P-C4'-P energy: -85.183
tors. eta vs tors. theta energy: -139.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1807.751437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.751437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.751437 (E_RNA)
where:
Base-Base interactions energy: -1275.778
where: short stacking energy: -517.698
Base-Backbone interact. energy: 2.928
local terms energy: -534.901929
where:
bonds (distance) C4'-P energy: -95.778
bonds (distance) P-C4' energy: -100.760
flat angles C4'-P-C4' energy: -113.452
flat angles P-C4'-P energy: -89.520
tors. eta vs tors. theta energy: -135.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1705.724733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.724733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.724733 (E_RNA)
where:
Base-Base interactions energy: -1210.298
where: short stacking energy: -490.915
Base-Backbone interact. energy: -2.768
local terms energy: -492.658927
where:
bonds (distance) C4'-P energy: -88.127
bonds (distance) P-C4' energy: -97.384
flat angles C4'-P-C4' energy: -108.144
flat angles P-C4'-P energy: -73.252
tors. eta vs tors. theta energy: -125.751
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: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1563.027660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.027660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.027660 (E_RNA)
where:
Base-Base interactions energy: -1099.247
where: short stacking energy: -468.849
Base-Backbone interact. energy: -0.472
local terms energy: -463.309280
where:
bonds (distance) C4'-P energy: -91.632
bonds (distance) P-C4' energy: -77.171
flat angles C4'-P-C4' energy: -96.572
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -126.730
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: 451
Temperature: 1.100000
Total energy: -1545.439403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.439403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.439403 (E_RNA)
where:
Base-Base interactions energy: -1089.528
where: short stacking energy: -443.412
Base-Backbone interact. energy: -0.158
local terms energy: -455.753293
where:
bonds (distance) C4'-P energy: -81.055
bonds (distance) P-C4' energy: -97.415
flat angles C4'-P-C4' energy: -106.275
flat angles P-C4'-P energy: -62.016
tors. eta vs tors. theta energy: -108.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1457.310482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.310482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.310482 (E_RNA)
where:
Base-Base interactions energy: -1009.641
where: short stacking energy: -433.743
Base-Backbone interact. energy: -2.135
local terms energy: -445.534058
where:
bonds (distance) C4'-P energy: -83.930
bonds (distance) P-C4' energy: -90.748
flat angles C4'-P-C4' energy: -94.268
flat angles P-C4'-P energy: -59.844
tors. eta vs tors. theta energy: -116.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1325.268798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.268798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.268798 (E_RNA)
where:
Base-Base interactions energy: -915.921
where: short stacking energy: -376.709
Base-Backbone interact. energy: 0.077
local terms energy: -409.424890
where:
bonds (distance) C4'-P energy: -85.690
bonds (distance) P-C4' energy: -79.081
flat angles C4'-P-C4' energy: -105.308
flat angles P-C4'-P energy: -50.195
tors. eta vs tors. theta energy: -89.152
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: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1063.890816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.890816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.890816 (E_RNA)
where:
Base-Base interactions energy: -690.201
where: short stacking energy: -314.533
Base-Backbone interact. energy: -3.995
local terms energy: -369.694759
where:
bonds (distance) C4'-P energy: -75.577
bonds (distance) P-C4' energy: -104.573
flat angles C4'-P-C4' energy: -87.636
flat angles P-C4'-P energy: -52.937
tors. eta vs tors. theta energy: -48.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -903.688222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.688222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.688222 (E_RNA)
where:
Base-Base interactions energy: -549.710
where: short stacking energy: -270.026
Base-Backbone interact. energy: 2.905
local terms energy: -356.882953
where:
bonds (distance) C4'-P energy: -75.481
bonds (distance) P-C4' energy: -88.788
flat angles C4'-P-C4' energy: -89.128
flat angles P-C4'-P energy: -65.290
tors. eta vs tors. theta energy: -38.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -645.769178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.769178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.769178 (E_RNA)
where:
Base-Base interactions energy: -344.950
where: short stacking energy: -185.269
Base-Backbone interact. energy: -0.083
local terms energy: -300.736213
where:
bonds (distance) C4'-P energy: -80.752
bonds (distance) P-C4' energy: -104.645
flat angles C4'-P-C4' energy: -58.695
flat angles P-C4'-P energy: -36.549
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1876.863877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.863877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.863877 (E_RNA)
where:
Base-Base interactions energy: -1343.220
where: short stacking energy: -516.894
Base-Backbone interact. energy: 1.404
local terms energy: -535.047274
where:
bonds (distance) C4'-P energy: -100.231
bonds (distance) P-C4' energy: -101.236
flat angles C4'-P-C4' energy: -114.008
flat angles P-C4'-P energy: -77.616
tors. eta vs tors. theta energy: -141.956
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: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1799.680622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.680622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.680622 (E_RNA)
where:
Base-Base interactions energy: -1290.108
where: short stacking energy: -519.921
Base-Backbone interact. energy: -0.878
local terms energy: -508.694616
where:
bonds (distance) C4'-P energy: -88.760
bonds (distance) P-C4' energy: -93.569
flat angles C4'-P-C4' energy: -110.440
flat angles P-C4'-P energy: -66.202
tors. eta vs tors. theta energy: -149.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1687.153181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.153181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.153181 (E_RNA)
where:
Base-Base interactions energy: -1197.748
where: short stacking energy: -476.473
Base-Backbone interact. energy: 0.386
local terms energy: -489.791800
where:
bonds (distance) C4'-P energy: -89.781
bonds (distance) P-C4' energy: -98.121
flat angles C4'-P-C4' energy: -100.973
flat angles P-C4'-P energy: -76.473
tors. eta vs tors. theta energy: -124.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1586.109151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.109151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.109151 (E_RNA)
where:
Base-Base interactions energy: -1100.196
where: short stacking energy: -440.664
Base-Backbone interact. energy: -1.432
local terms energy: -484.480923
where:
bonds (distance) C4'-P energy: -88.332
bonds (distance) P-C4' energy: -97.923
flat angles C4'-P-C4' energy: -102.463
flat angles P-C4'-P energy: -75.907
tors. eta vs tors. theta energy: -119.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1572.444788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.444788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.444788 (E_RNA)
where:
Base-Base interactions energy: -1071.910
where: short stacking energy: -470.993
Base-Backbone interact. energy: -1.573
local terms energy: -498.962471
where:
bonds (distance) C4'-P energy: -81.349
bonds (distance) P-C4' energy: -98.694
flat angles C4'-P-C4' energy: -107.799
flat angles P-C4'-P energy: -72.685
tors. eta vs tors. theta energy: -138.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1502.347726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.347726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.347726 (E_RNA)
where:
Base-Base interactions energy: -1067.780
where: short stacking energy: -422.549
Base-Backbone interact. energy: 4.139
local terms energy: -438.707650
where:
bonds (distance) C4'-P energy: -87.820
bonds (distance) P-C4' energy: -77.517
flat angles C4'-P-C4' energy: -99.491
flat angles P-C4'-P energy: -73.970
tors. eta vs tors. theta energy: -99.911
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: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1365.558620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.558620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.558620 (E_RNA)
where:
Base-Base interactions energy: -934.427
where: short stacking energy: -396.197
Base-Backbone interact. energy: 1.678
local terms energy: -432.809500
where:
bonds (distance) C4'-P energy: -84.202
bonds (distance) P-C4' energy: -84.917
flat angles C4'-P-C4' energy: -92.645
flat angles P-C4'-P energy: -67.921
tors. eta vs tors. theta energy: -103.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1072.530914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.530914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.530914 (E_RNA)
where:
Base-Base interactions energy: -710.115
where: short stacking energy: -290.047
Base-Backbone interact. energy: -0.716
local terms energy: -361.700460
where:
bonds (distance) C4'-P energy: -82.347
bonds (distance) P-C4' energy: -81.979
flat angles C4'-P-C4' energy: -78.752
flat angles P-C4'-P energy: -63.580
tors. eta vs tors. theta energy: -55.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -899.004137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.004137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.004137 (E_RNA)
where:
Base-Base interactions energy: -550.425
where: short stacking energy: -263.386
Base-Backbone interact. energy: -0.935
local terms energy: -347.643531
where:
bonds (distance) C4'-P energy: -84.909
bonds (distance) P-C4' energy: -94.886
flat angles C4'-P-C4' energy: -66.938
flat angles P-C4'-P energy: -56.735
tors. eta vs tors. theta energy: -44.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -673.006168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.006168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.006168 (E_RNA)
where:
Base-Base interactions energy: -366.910
where: short stacking energy: -181.365
Base-Backbone interact. energy: -0.946
local terms energy: -305.150309
where:
bonds (distance) C4'-P energy: -77.791
bonds (distance) P-C4' energy: -92.748
flat angles C4'-P-C4' energy: -65.695
flat angles P-C4'-P energy: -55.842
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1897.147665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.147665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.147665 (E_RNA)
where:
Base-Base interactions energy: -1326.963
where: short stacking energy: -544.255
Base-Backbone interact. energy: -4.785
local terms energy: -565.399502
where:
bonds (distance) C4'-P energy: -107.315
bonds (distance) P-C4' energy: -100.910
flat angles C4'-P-C4' energy: -125.768
flat angles P-C4'-P energy: -80.113
tors. eta vs tors. theta energy: -151.294
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: 453
Temperature: 0.950000
Total energy: -1805.203186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.203186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.203186 (E_RNA)
where:
Base-Base interactions energy: -1290.253
where: short stacking energy: -503.343
Base-Backbone interact. energy: -5.772
local terms energy: -509.178183
where:
bonds (distance) C4'-P energy: -83.523
bonds (distance) P-C4' energy: -112.555
flat angles C4'-P-C4' energy: -109.138
flat angles P-C4'-P energy: -71.261
tors. eta vs tors. theta energy: -132.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1679.645863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.645863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.645863 (E_RNA)
where:
Base-Base interactions energy: -1161.644
where: short stacking energy: -484.325
Base-Backbone interact. energy: -1.086
local terms energy: -516.915687
where:
bonds (distance) C4'-P energy: -87.828
bonds (distance) P-C4' energy: -105.556
flat angles C4'-P-C4' energy: -117.371
flat angles P-C4'-P energy: -74.477
tors. eta vs tors. theta energy: -131.683
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: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1543.027770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.027770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.027770 (E_RNA)
where:
Base-Base interactions energy: -1063.812
where: short stacking energy: -452.554
Base-Backbone interact. energy: -0.899
local terms energy: -478.316668
where:
bonds (distance) C4'-P energy: -93.152
bonds (distance) P-C4' energy: -88.636
flat angles C4'-P-C4' energy: -105.603
flat angles P-C4'-P energy: -67.921
tors. eta vs tors. theta energy: -123.004
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: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1559.232363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.232363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.232363 (E_RNA)
where:
Base-Base interactions energy: -1080.161
where: short stacking energy: -457.969
Base-Backbone interact. energy: -3.291
local terms energy: -475.780482
where:
bonds (distance) C4'-P energy: -88.721
bonds (distance) P-C4' energy: -81.727
flat angles C4'-P-C4' energy: -96.934
flat angles P-C4'-P energy: -78.712
tors. eta vs tors. theta energy: -129.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1489.875835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.875835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.875835 (E_RNA)
where:
Base-Base interactions energy: -1046.801
where: short stacking energy: -408.573
Base-Backbone interact. energy: -0.168
local terms energy: -442.907024
where:
bonds (distance) C4'-P energy: -85.476
bonds (distance) P-C4' energy: -89.529
flat angles C4'-P-C4' energy: -87.696
flat angles P-C4'-P energy: -77.429
tors. eta vs tors. theta energy: -102.777
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: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1356.436299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.436299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.436299 (E_RNA)
where:
Base-Base interactions energy: -945.682
where: short stacking energy: -408.550
Base-Backbone interact. energy: -0.529
local terms energy: -410.225866
where:
bonds (distance) C4'-P energy: -77.253
bonds (distance) P-C4' energy: -95.335
flat angles C4'-P-C4' energy: -89.561
flat angles P-C4'-P energy: -48.816
tors. eta vs tors. theta energy: -99.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1096.240740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.240740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.240740 (E_RNA)
where:
Base-Base interactions energy: -728.810
where: short stacking energy: -306.700
Base-Backbone interact. energy: -2.315
local terms energy: -365.115618
where:
bonds (distance) C4'-P energy: -80.783
bonds (distance) P-C4' energy: -89.422
flat angles C4'-P-C4' energy: -83.556
flat angles P-C4'-P energy: -62.924
tors. eta vs tors. theta energy: -48.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -982.597708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.597708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.597708 (E_RNA)
where:
Base-Base interactions energy: -595.679
where: short stacking energy: -283.268
Base-Backbone interact. energy: -0.471
local terms energy: -386.448142
where:
bonds (distance) C4'-P energy: -73.826
bonds (distance) P-C4' energy: -84.183
flat angles C4'-P-C4' energy: -95.390
flat angles P-C4'-P energy: -63.898
tors. eta vs tors. theta energy: -69.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -641.469837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.469837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.469837 (E_RNA)
where:
Base-Base interactions energy: -365.377
where: short stacking energy: -195.806
Base-Backbone interact. energy: -0.535
local terms energy: -275.557668
where:
bonds (distance) C4'-P energy: -63.258
bonds (distance) P-C4' energy: -83.700
flat angles C4'-P-C4' energy: -82.933
flat angles P-C4'-P energy: -41.465
tors. eta vs tors. theta energy: -4.202
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: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1871.558971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.558971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.558971 (E_RNA)
where:
Base-Base interactions energy: -1314.331
where: short stacking energy: -517.864
Base-Backbone interact. energy: -2.303
local terms energy: -554.925407
where:
bonds (distance) C4'-P energy: -105.683
bonds (distance) P-C4' energy: -106.852
flat angles C4'-P-C4' energy: -120.079
flat angles P-C4'-P energy: -78.250
tors. eta vs tors. theta energy: -144.062
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: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1816.401428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.401428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.401428 (E_RNA)
where:
Base-Base interactions energy: -1289.253
where: short stacking energy: -536.507
Base-Backbone interact. energy: -2.669
local terms energy: -524.479470
where:
bonds (distance) C4'-P energy: -101.901
bonds (distance) P-C4' energy: -100.197
flat angles C4'-P-C4' energy: -112.988
flat angles P-C4'-P energy: -74.442
tors. eta vs tors. theta energy: -134.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1705.371485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.371485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.371485 (E_RNA)
where:
Base-Base interactions energy: -1184.435
where: short stacking energy: -497.017
Base-Backbone interact. energy: -2.052
local terms energy: -518.884229
where:
bonds (distance) C4'-P energy: -97.381
bonds (distance) P-C4' energy: -105.433
flat angles C4'-P-C4' energy: -120.581
flat angles P-C4'-P energy: -69.663
tors. eta vs tors. theta energy: -125.827
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: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1582.673373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.673373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.673373 (E_RNA)
where:
Base-Base interactions energy: -1080.671
where: short stacking energy: -467.910
Base-Backbone interact. energy: 0.547
local terms energy: -502.549286
where:
bonds (distance) C4'-P energy: -89.381
bonds (distance) P-C4' energy: -96.034
flat angles C4'-P-C4' energy: -120.478
flat angles P-C4'-P energy: -66.647
tors. eta vs tors. theta energy: -130.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1569.020793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.020793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.020793 (E_RNA)
where:
Base-Base interactions energy: -1096.556
where: short stacking energy: -458.364
Base-Backbone interact. energy: -0.815
local terms energy: -471.649349
where:
bonds (distance) C4'-P energy: -89.600
bonds (distance) P-C4' energy: -90.851
flat angles C4'-P-C4' energy: -93.484
flat angles P-C4'-P energy: -65.282
tors. eta vs tors. theta energy: -132.432
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: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1472.141766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.141766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.141766 (E_RNA)
where:
Base-Base interactions energy: -1045.974
where: short stacking energy: -421.776
Base-Backbone interact. energy: -0.271
local terms energy: -425.896471
where:
bonds (distance) C4'-P energy: -71.118
bonds (distance) P-C4' energy: -95.200
flat angles C4'-P-C4' energy: -97.380
flat angles P-C4'-P energy: -65.950
tors. eta vs tors. theta energy: -96.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1307.407906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.407906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.407906 (E_RNA)
where:
Base-Base interactions energy: -888.414
where: short stacking energy: -364.834
Base-Backbone interact. energy: -2.164
local terms energy: -416.830693
where:
bonds (distance) C4'-P energy: -89.360
bonds (distance) P-C4' energy: -101.952
flat angles C4'-P-C4' energy: -87.260
flat angles P-C4'-P energy: -58.798
tors. eta vs tors. theta energy: -79.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1143.849935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.849935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.849935 (E_RNA)
where:
Base-Base interactions energy: -762.019
where: short stacking energy: -333.867
Base-Backbone interact. energy: -1.202
local terms energy: -380.628941
where:
bonds (distance) C4'-P energy: -66.851
bonds (distance) P-C4' energy: -87.447
flat angles C4'-P-C4' energy: -94.573
flat angles P-C4'-P energy: -66.574
tors. eta vs tors. theta energy: -65.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1002.143728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.143728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.143728 (E_RNA)
where:
Base-Base interactions energy: -656.919
where: short stacking energy: -270.291
Base-Backbone interact. energy: -1.377
local terms energy: -343.847492
where:
bonds (distance) C4'-P energy: -64.677
bonds (distance) P-C4' energy: -95.625
flat angles C4'-P-C4' energy: -82.105
flat angles P-C4'-P energy: -63.437
tors. eta vs tors. theta energy: -38.004
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: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -656.933161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.933161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.933161 (E_RNA)
where:
Base-Base interactions energy: -386.110
where: short stacking energy: -189.973
Base-Backbone interact. energy: -3.196
local terms energy: -267.626981
where:
bonds (distance) C4'-P energy: -72.831
bonds (distance) P-C4' energy: -60.939
flat angles C4'-P-C4' energy: -58.332
flat angles P-C4'-P energy: -55.222
tors. eta vs tors. theta energy: -20.303
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: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1874.408666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.408666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.408666 (E_RNA)
where:
Base-Base interactions energy: -1340.789
where: short stacking energy: -522.703
Base-Backbone interact. energy: -1.443
local terms energy: -532.177149
where:
bonds (distance) C4'-P energy: -95.134
bonds (distance) P-C4' energy: -101.639
flat angles C4'-P-C4' energy: -113.437
flat angles P-C4'-P energy: -81.838
tors. eta vs tors. theta energy: -140.130
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: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1812.483371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.483371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.483371 (E_RNA)
where:
Base-Base interactions energy: -1280.251
where: short stacking energy: -502.930
Base-Backbone interact. energy: 1.018
local terms energy: -533.250828
where:
bonds (distance) C4'-P energy: -94.963
bonds (distance) P-C4' energy: -106.198
flat angles C4'-P-C4' energy: -111.415
flat angles P-C4'-P energy: -83.713
tors. eta vs tors. theta energy: -136.961
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: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1680.260531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.260531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.260531 (E_RNA)
where:
Base-Base interactions energy: -1193.700
where: short stacking energy: -479.238
Base-Backbone interact. energy: -2.805
local terms energy: -483.755883
where:
bonds (distance) C4'-P energy: -85.640
bonds (distance) P-C4' energy: -88.173
flat angles C4'-P-C4' energy: -113.371
flat angles P-C4'-P energy: -68.386
tors. eta vs tors. theta energy: -128.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1648.342070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.342070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.342070 (E_RNA)
where:
Base-Base interactions energy: -1139.876
where: short stacking energy: -447.486
Base-Backbone interact. energy: -3.935
local terms energy: -504.531550
where:
bonds (distance) C4'-P energy: -94.786
bonds (distance) P-C4' energy: -107.638
flat angles C4'-P-C4' energy: -104.915
flat angles P-C4'-P energy: -74.021
tors. eta vs tors. theta energy: -123.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1551.022080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.022080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.022080 (E_RNA)
where:
Base-Base interactions energy: -1051.132
where: short stacking energy: -462.743
Base-Backbone interact. energy: 0.447
local terms energy: -500.337003
where:
bonds (distance) C4'-P energy: -97.340
bonds (distance) P-C4' energy: -91.941
flat angles C4'-P-C4' energy: -105.524
flat angles P-C4'-P energy: -80.391
tors. eta vs tors. theta energy: -125.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1469.520099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.520099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.520099 (E_RNA)
where:
Base-Base interactions energy: -1026.086
where: short stacking energy: -415.374
Base-Backbone interact. energy: 0.897
local terms energy: -444.331066
where:
bonds (distance) C4'-P energy: -89.247
bonds (distance) P-C4' energy: -95.784
flat angles C4'-P-C4' energy: -96.084
flat angles P-C4'-P energy: -61.058
tors. eta vs tors. theta energy: -102.159
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: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1376.573068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.573068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.573068 (E_RNA)
where:
Base-Base interactions energy: -935.762
where: short stacking energy: -391.740
Base-Backbone interact. energy: -3.199
local terms energy: -437.612808
where:
bonds (distance) C4'-P energy: -98.519
bonds (distance) P-C4' energy: -101.848
flat angles C4'-P-C4' energy: -96.362
flat angles P-C4'-P energy: -51.436
tors. eta vs tors. theta energy: -89.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1118.914107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.914107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.914107 (E_RNA)
where:
Base-Base interactions energy: -758.740
where: short stacking energy: -328.807
Base-Backbone interact. energy: -3.180
local terms energy: -356.993868
where:
bonds (distance) C4'-P energy: -73.746
bonds (distance) P-C4' energy: -93.038
flat angles C4'-P-C4' energy: -81.509
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -63.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1010.227216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.227216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.227216 (E_RNA)
where:
Base-Base interactions energy: -654.098
where: short stacking energy: -305.553
Base-Backbone interact. energy: -0.153
local terms energy: -355.976008
where:
bonds (distance) C4'-P energy: -72.313
bonds (distance) P-C4' energy: -86.536
flat angles C4'-P-C4' energy: -90.317
flat angles P-C4'-P energy: -47.075
tors. eta vs tors. theta energy: -59.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -650.708917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.708917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.708917 (E_RNA)
where:
Base-Base interactions energy: -354.637
where: short stacking energy: -190.403
Base-Backbone interact. energy: 0.921
local terms energy: -296.992625
where:
bonds (distance) C4'-P energy: -86.415
bonds (distance) P-C4' energy: -86.749
flat angles C4'-P-C4' energy: -81.705
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1821.952554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.952554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.952554 (E_RNA)
where:
Base-Base interactions energy: -1276.386
where: short stacking energy: -517.100
Base-Backbone interact. energy: -4.825
local terms energy: -540.741195
where:
bonds (distance) C4'-P energy: -100.879
bonds (distance) P-C4' energy: -95.810
flat angles C4'-P-C4' energy: -118.957
flat angles P-C4'-P energy: -80.726
tors. eta vs tors. theta energy: -144.370
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: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1843.519088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.519088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.519088 (E_RNA)
where:
Base-Base interactions energy: -1323.862
where: short stacking energy: -493.519
Base-Backbone interact. energy: -2.412
local terms energy: -517.244846
where:
bonds (distance) C4'-P energy: -95.277
bonds (distance) P-C4' energy: -98.118
flat angles C4'-P-C4' energy: -115.396
flat angles P-C4'-P energy: -80.589
tors. eta vs tors. theta energy: -127.866
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: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1701.633840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.633840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.633840 (E_RNA)
where:
Base-Base interactions energy: -1184.127
where: short stacking energy: -490.838
Base-Backbone interact. energy: -3.435
local terms energy: -514.071785
where:
bonds (distance) C4'-P energy: -80.565
bonds (distance) P-C4' energy: -101.434
flat angles C4'-P-C4' energy: -118.204
flat angles P-C4'-P energy: -79.725
tors. eta vs tors. theta energy: -134.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1629.816629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.816629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.816629 (E_RNA)
where:
Base-Base interactions energy: -1137.921
where: short stacking energy: -461.848
Base-Backbone interact. energy: -1.133
local terms energy: -490.763152
where:
bonds (distance) C4'-P energy: -84.227
bonds (distance) P-C4' energy: -99.140
flat angles C4'-P-C4' energy: -110.022
flat angles P-C4'-P energy: -65.509
tors. eta vs tors. theta energy: -131.866
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: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1510.077784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.077784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.077784 (E_RNA)
where:
Base-Base interactions energy: -1018.627
where: short stacking energy: -429.522
Base-Backbone interact. energy: 2.202
local terms energy: -493.653415
where:
bonds (distance) C4'-P energy: -89.456
bonds (distance) P-C4' energy: -98.346
flat angles C4'-P-C4' energy: -105.608
flat angles P-C4'-P energy: -82.506
tors. eta vs tors. theta energy: -117.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1483.421775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.421775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.421775 (E_RNA)
where:
Base-Base interactions energy: -1038.265
where: short stacking energy: -427.354
Base-Backbone interact. energy: -2.248
local terms energy: -442.908916
where:
bonds (distance) C4'-P energy: -84.467
bonds (distance) P-C4' energy: -93.278
flat angles C4'-P-C4' energy: -94.480
flat angles P-C4'-P energy: -63.867
tors. eta vs tors. theta energy: -106.816
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: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1304.580897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.580897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.580897 (E_RNA)
where:
Base-Base interactions energy: -894.723
where: short stacking energy: -359.283
Base-Backbone interact. energy: 0.005
local terms energy: -409.863174
where:
bonds (distance) C4'-P energy: -90.884
bonds (distance) P-C4' energy: -86.620
flat angles C4'-P-C4' energy: -95.936
flat angles P-C4'-P energy: -56.359
tors. eta vs tors. theta energy: -80.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1188.770367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.770367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.770367 (E_RNA)
where:
Base-Base interactions energy: -786.789
where: short stacking energy: -315.750
Base-Backbone interact. energy: -1.880
local terms energy: -400.101603
where:
bonds (distance) C4'-P energy: -93.336
bonds (distance) P-C4' energy: -98.522
flat angles C4'-P-C4' energy: -85.541
flat angles P-C4'-P energy: -57.686
tors. eta vs tors. theta energy: -65.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -910.978229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.978229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.978229 (E_RNA)
where:
Base-Base interactions energy: -577.736
where: short stacking energy: -256.653
Base-Backbone interact. energy: -0.263
local terms energy: -332.979065
where:
bonds (distance) C4'-P energy: -84.858
bonds (distance) P-C4' energy: -81.101
flat angles C4'-P-C4' energy: -78.783
flat angles P-C4'-P energy: -49.586
tors. eta vs tors. theta energy: -38.651
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: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -636.306886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.306886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.306886 (E_RNA)
where:
Base-Base interactions energy: -330.662
where: short stacking energy: -177.047
Base-Backbone interact. energy: -2.694
local terms energy: -302.950905
where:
bonds (distance) C4'-P energy: -81.128
bonds (distance) P-C4' energy: -88.161
flat angles C4'-P-C4' energy: -79.563
flat angles P-C4'-P energy: -48.247
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1841.556528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.556528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.556528 (E_RNA)
where:
Base-Base interactions energy: -1274.252
where: short stacking energy: -526.974
Base-Backbone interact. energy: -4.793
local terms energy: -562.511307
where:
bonds (distance) C4'-P energy: -103.292
bonds (distance) P-C4' energy: -111.995
flat angles C4'-P-C4' energy: -111.280
flat angles P-C4'-P energy: -85.140
tors. eta vs tors. theta energy: -150.804
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: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1849.127616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.127616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.127616 (E_RNA)
where:
Base-Base interactions energy: -1323.734
where: short stacking energy: -523.713
Base-Backbone interact. energy: 0.096
local terms energy: -525.489088
where:
bonds (distance) C4'-P energy: -99.623
bonds (distance) P-C4' energy: -98.730
flat angles C4'-P-C4' energy: -118.076
flat angles P-C4'-P energy: -71.275
tors. eta vs tors. theta energy: -137.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1717.081277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.081277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.081277 (E_RNA)
where:
Base-Base interactions energy: -1212.235
where: short stacking energy: -500.397
Base-Backbone interact. energy: -0.146
local terms energy: -504.700352
where:
bonds (distance) C4'-P energy: -81.468
bonds (distance) P-C4' energy: -97.121
flat angles C4'-P-C4' energy: -109.904
flat angles P-C4'-P energy: -80.370
tors. eta vs tors. theta energy: -135.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1625.297176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.297176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.297176 (E_RNA)
where:
Base-Base interactions energy: -1114.312
where: short stacking energy: -473.336
Base-Backbone interact. energy: -2.158
local terms energy: -508.827636
where:
bonds (distance) C4'-P energy: -93.810
bonds (distance) P-C4' energy: -95.040
flat angles C4'-P-C4' energy: -102.151
flat angles P-C4'-P energy: -78.159
tors. eta vs tors. theta energy: -139.668
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: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1520.841759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.841759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.841759 (E_RNA)
where:
Base-Base interactions energy: -1075.745
where: short stacking energy: -453.915
Base-Backbone interact. energy: -1.555
local terms energy: -443.541773
where:
bonds (distance) C4'-P energy: -79.747
bonds (distance) P-C4' energy: -91.890
flat angles C4'-P-C4' energy: -100.827
flat angles P-C4'-P energy: -55.566
tors. eta vs tors. theta energy: -115.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1487.621341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.621341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.621341 (E_RNA)
where:
Base-Base interactions energy: -1019.046
where: short stacking energy: -421.850
Base-Backbone interact. energy: -3.460
local terms energy: -465.115322
where:
bonds (distance) C4'-P energy: -99.041
bonds (distance) P-C4' energy: -89.554
flat angles C4'-P-C4' energy: -105.606
flat angles P-C4'-P energy: -70.049
tors. eta vs tors. theta energy: -100.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1349.450842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.450842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.450842 (E_RNA)
where:
Base-Base interactions energy: -934.019
where: short stacking energy: -378.501
Base-Backbone interact. energy: 0.249
local terms energy: -415.681315
where:
bonds (distance) C4'-P energy: -82.348
bonds (distance) P-C4' energy: -91.419
flat angles C4'-P-C4' energy: -98.720
flat angles P-C4'-P energy: -56.429
tors. eta vs tors. theta energy: -86.765
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: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1072.333086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.333086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.333086 (E_RNA)
where:
Base-Base interactions energy: -705.204
where: short stacking energy: -313.891
Base-Backbone interact. energy: -2.407
local terms energy: -364.722014
where:
bonds (distance) C4'-P energy: -96.677
bonds (distance) P-C4' energy: -89.527
flat angles C4'-P-C4' energy: -71.605
flat angles P-C4'-P energy: -48.597
tors. eta vs tors. theta energy: -58.315
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: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -840.695730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.695730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.695730 (E_RNA)
where:
Base-Base interactions energy: -527.264
where: short stacking energy: -258.689
Base-Backbone interact. energy: -0.905
local terms energy: -312.526839
where:
bonds (distance) C4'-P energy: -71.923
bonds (distance) P-C4' energy: -78.062
flat angles C4'-P-C4' energy: -79.205
flat angles P-C4'-P energy: -47.126
tors. eta vs tors. theta energy: -36.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -668.282954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.282954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.282954 (E_RNA)
where:
Base-Base interactions energy: -372.440
where: short stacking energy: -169.380
Base-Backbone interact. energy: -4.494
local terms energy: -291.349387
where:
bonds (distance) C4'-P energy: -89.277
bonds (distance) P-C4' energy: -79.434
flat angles C4'-P-C4' energy: -63.230
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -6.508
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: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1856.046136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.046136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.046136 (E_RNA)
where:
Base-Base interactions energy: -1310.659
where: short stacking energy: -516.855
Base-Backbone interact. energy: -3.736
local terms energy: -541.650912
where:
bonds (distance) C4'-P energy: -102.817
bonds (distance) P-C4' energy: -86.693
flat angles C4'-P-C4' energy: -122.127
flat angles P-C4'-P energy: -79.576
tors. eta vs tors. theta energy: -150.438
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: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1853.124979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.124979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.124979 (E_RNA)
where:
Base-Base interactions energy: -1322.734
where: short stacking energy: -523.208
Base-Backbone interact. energy: -2.363
local terms energy: -528.027950
where:
bonds (distance) C4'-P energy: -101.794
bonds (distance) P-C4' energy: -96.216
flat angles C4'-P-C4' energy: -111.600
flat angles P-C4'-P energy: -78.860
tors. eta vs tors. theta energy: -139.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1658.808129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.808129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.808129 (E_RNA)
where:
Base-Base interactions energy: -1167.836
where: short stacking energy: -500.052
Base-Backbone interact. energy: -2.899
local terms energy: -488.073153
where:
bonds (distance) C4'-P energy: -90.841
bonds (distance) P-C4' energy: -83.996
flat angles C4'-P-C4' energy: -107.793
flat angles P-C4'-P energy: -76.272
tors. eta vs tors. theta energy: -129.171
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: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1702.593762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.593762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.593762 (E_RNA)
where:
Base-Base interactions energy: -1211.424
where: short stacking energy: -497.518
Base-Backbone interact. energy: 1.430
local terms energy: -492.600399
where:
bonds (distance) C4'-P energy: -95.190
bonds (distance) P-C4' energy: -91.515
flat angles C4'-P-C4' energy: -100.785
flat angles P-C4'-P energy: -74.480
tors. eta vs tors. theta energy: -130.630
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: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1487.657815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.657815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.657815 (E_RNA)
where:
Base-Base interactions energy: -1018.041
where: short stacking energy: -437.785
Base-Backbone interact. energy: 1.967
local terms energy: -471.583872
where:
bonds (distance) C4'-P energy: -83.025
bonds (distance) P-C4' energy: -104.188
flat angles C4'-P-C4' energy: -102.876
flat angles P-C4'-P energy: -72.746
tors. eta vs tors. theta energy: -108.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1480.122819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.122819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.122819 (E_RNA)
where:
Base-Base interactions energy: -1042.806
where: short stacking energy: -424.566
Base-Backbone interact. energy: 2.542
local terms energy: -439.858633
where:
bonds (distance) C4'-P energy: -93.528
bonds (distance) P-C4' energy: -94.887
flat angles C4'-P-C4' energy: -95.795
flat angles P-C4'-P energy: -60.117
tors. eta vs tors. theta energy: -95.533
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: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1321.442098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.442098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.442098 (E_RNA)
where:
Base-Base interactions energy: -900.238
where: short stacking energy: -387.640
Base-Backbone interact. energy: 0.490
local terms energy: -421.693400
where:
bonds (distance) C4'-P energy: -88.296
bonds (distance) P-C4' energy: -90.585
flat angles C4'-P-C4' energy: -95.573
flat angles P-C4'-P energy: -52.818
tors. eta vs tors. theta energy: -94.420
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: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1093.140429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.140429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.140429 (E_RNA)
where:
Base-Base interactions energy: -709.086
where: short stacking energy: -312.268
Base-Backbone interact. energy: 1.719
local terms energy: -385.773036
where:
bonds (distance) C4'-P energy: -74.955
bonds (distance) P-C4' energy: -92.384
flat angles C4'-P-C4' energy: -91.964
flat angles P-C4'-P energy: -56.805
tors. eta vs tors. theta energy: -69.665
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: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -839.029853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.029853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.029853 (E_RNA)
where:
Base-Base interactions energy: -520.944
where: short stacking energy: -256.592
Base-Backbone interact. energy: -1.907
local terms energy: -316.178285
where:
bonds (distance) C4'-P energy: -72.230
bonds (distance) P-C4' energy: -93.867
flat angles C4'-P-C4' energy: -80.674
flat angles P-C4'-P energy: -40.552
tors. eta vs tors. theta energy: -28.855
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: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -647.498312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.498312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.498312 (E_RNA)
where:
Base-Base interactions energy: -363.998
where: short stacking energy: -204.899
Base-Backbone interact. energy: 1.180
local terms energy: -284.679904
where:
bonds (distance) C4'-P energy: -77.189
bonds (distance) P-C4' energy: -83.460
flat angles C4'-P-C4' energy: -74.558
flat angles P-C4'-P energy: -40.023
tors. eta vs tors. theta energy: -9.451
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: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1870.139499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.139499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.139499 (E_RNA)
where:
Base-Base interactions energy: -1328.993
where: short stacking energy: -527.423
Base-Backbone interact. energy: -4.169
local terms energy: -536.977250
where:
bonds (distance) C4'-P energy: -100.637
bonds (distance) P-C4' energy: -101.623
flat angles C4'-P-C4' energy: -111.961
flat angles P-C4'-P energy: -79.210
tors. eta vs tors. theta energy: -143.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1826.434382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.434382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.434382 (E_RNA)
where:
Base-Base interactions energy: -1292.308
where: short stacking energy: -497.912
Base-Backbone interact. energy: -1.949
local terms energy: -532.177289
where:
bonds (distance) C4'-P energy: -104.800
bonds (distance) P-C4' energy: -98.071
flat angles C4'-P-C4' energy: -107.921
flat angles P-C4'-P energy: -81.583
tors. eta vs tors. theta energy: -139.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1697.761350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.761350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.761350 (E_RNA)
where:
Base-Base interactions energy: -1204.542
where: short stacking energy: -493.981
Base-Backbone interact. energy: 4.458
local terms energy: -497.677164
where:
bonds (distance) C4'-P energy: -101.540
bonds (distance) P-C4' energy: -104.036
flat angles C4'-P-C4' energy: -103.463
flat angles P-C4'-P energy: -64.403
tors. eta vs tors. theta energy: -124.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1689.956339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.956339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.956339 (E_RNA)
where:
Base-Base interactions energy: -1204.448
where: short stacking energy: -487.807
Base-Backbone interact. energy: 1.746
local terms energy: -487.253851
where:
bonds (distance) C4'-P energy: -95.321
bonds (distance) P-C4' energy: -94.604
flat angles C4'-P-C4' energy: -108.953
flat angles P-C4'-P energy: -59.909
tors. eta vs tors. theta energy: -128.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1473.612846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.612846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.612846 (E_RNA)
where:
Base-Base interactions energy: -1016.639
where: short stacking energy: -442.151
Base-Backbone interact. energy: -2.803
local terms energy: -454.170909
where:
bonds (distance) C4'-P energy: -87.472
bonds (distance) P-C4' energy: -89.773
flat angles C4'-P-C4' energy: -98.628
flat angles P-C4'-P energy: -69.817
tors. eta vs tors. theta energy: -108.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1498.077360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.077360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.077360 (E_RNA)
where:
Base-Base interactions energy: -1034.354
where: short stacking energy: -445.955
Base-Backbone interact. energy: -0.719
local terms energy: -463.003733
where:
bonds (distance) C4'-P energy: -80.508
bonds (distance) P-C4' energy: -100.347
flat angles C4'-P-C4' energy: -88.712
flat angles P-C4'-P energy: -62.505
tors. eta vs tors. theta energy: -130.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1322.652578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.652578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.652578 (E_RNA)
where:
Base-Base interactions energy: -883.096
where: short stacking energy: -375.106
Base-Backbone interact. energy: -2.303
local terms energy: -437.253253
where:
bonds (distance) C4'-P energy: -92.046
bonds (distance) P-C4' energy: -97.366
flat angles C4'-P-C4' energy: -101.279
flat angles P-C4'-P energy: -55.023
tors. eta vs tors. theta energy: -91.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1108.866330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.866330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.866330 (E_RNA)
where:
Base-Base interactions energy: -753.785
where: short stacking energy: -328.624
Base-Backbone interact. energy: -0.607
local terms energy: -354.473632
where:
bonds (distance) C4'-P energy: -71.280
bonds (distance) P-C4' energy: -92.909
flat angles C4'-P-C4' energy: -75.083
flat angles P-C4'-P energy: -46.359
tors. eta vs tors. theta energy: -68.842
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: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -868.110088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.110088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.110088 (E_RNA)
where:
Base-Base interactions energy: -543.762
where: short stacking energy: -249.783
Base-Backbone interact. energy: 0.536
local terms energy: -324.883359
where:
bonds (distance) C4'-P energy: -78.592
bonds (distance) P-C4' energy: -91.708
flat angles C4'-P-C4' energy: -78.906
flat angles P-C4'-P energy: -44.451
tors. eta vs tors. theta energy: -31.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -604.241445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.241445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.241445 (E_RNA)
where:
Base-Base interactions energy: -303.927
where: short stacking energy: -164.529
Base-Backbone interact. energy: -2.270
local terms energy: -298.043764
where:
bonds (distance) C4'-P energy: -72.200
bonds (distance) P-C4' energy: -101.376
flat angles C4'-P-C4' energy: -88.021
flat angles P-C4'-P energy: -37.069
tors. eta vs tors. theta energy: 0.623
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: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1879.687954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.687954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.687954 (E_RNA)
where:
Base-Base interactions energy: -1340.468
where: short stacking energy: -533.770
Base-Backbone interact. energy: 0.981
local terms energy: -540.201169
where:
bonds (distance) C4'-P energy: -100.573
bonds (distance) P-C4' energy: -109.083
flat angles C4'-P-C4' energy: -115.138
flat angles P-C4'-P energy: -76.086
tors. eta vs tors. theta energy: -139.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1793.057997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.057997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.057997 (E_RNA)
where:
Base-Base interactions energy: -1277.778
where: short stacking energy: -499.555
Base-Backbone interact. energy: -3.262
local terms energy: -512.018122
where:
bonds (distance) C4'-P energy: -95.724
bonds (distance) P-C4' energy: -93.080
flat angles C4'-P-C4' energy: -112.027
flat angles P-C4'-P energy: -66.859
tors. eta vs tors. theta energy: -144.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1694.111397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.111397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.111397 (E_RNA)
where:
Base-Base interactions energy: -1197.901
where: short stacking energy: -485.926
Base-Backbone interact. energy: 1.608
local terms energy: -497.818435
where:
bonds (distance) C4'-P energy: -87.273
bonds (distance) P-C4' energy: -107.691
flat angles C4'-P-C4' energy: -116.340
flat angles P-C4'-P energy: -62.574
tors. eta vs tors. theta energy: -123.940
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: 460
Temperature: 1.050000
Total energy: -1629.944718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.944718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.944718 (E_RNA)
where:
Base-Base interactions energy: -1146.748
where: short stacking energy: -466.374
Base-Backbone interact. energy: -1.941
local terms energy: -481.255890
where:
bonds (distance) C4'-P energy: -86.411
bonds (distance) P-C4' energy: -99.680
flat angles C4'-P-C4' energy: -91.256
flat angles P-C4'-P energy: -79.076
tors. eta vs tors. theta energy: -124.833
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: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1528.049435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.049435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.049435 (E_RNA)
where:
Base-Base interactions energy: -1097.117
where: short stacking energy: -460.276
Base-Backbone interact. energy: -0.982
local terms energy: -429.950457
where:
bonds (distance) C4'-P energy: -76.736
bonds (distance) P-C4' energy: -83.941
flat angles C4'-P-C4' energy: -97.209
flat angles P-C4'-P energy: -55.815
tors. eta vs tors. theta energy: -116.250
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: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1522.955305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.955305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.955305 (E_RNA)
where:
Base-Base interactions energy: -1053.051
where: short stacking energy: -429.047
Base-Backbone interact. energy: -1.591
local terms energy: -468.312900
where:
bonds (distance) C4'-P energy: -90.088
bonds (distance) P-C4' energy: -83.967
flat angles C4'-P-C4' energy: -104.426
flat angles P-C4'-P energy: -74.636
tors. eta vs tors. theta energy: -115.196
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: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1307.857305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.857305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.857305 (E_RNA)
where:
Base-Base interactions energy: -865.377
where: short stacking energy: -369.186
Base-Backbone interact. energy: -2.138
local terms energy: -440.342354
where:
bonds (distance) C4'-P energy: -87.722
bonds (distance) P-C4' energy: -97.722
flat angles C4'-P-C4' energy: -85.534
flat angles P-C4'-P energy: -71.751
tors. eta vs tors. theta energy: -97.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1108.481615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.481615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.481615 (E_RNA)
where:
Base-Base interactions energy: -706.421
where: short stacking energy: -317.660
Base-Backbone interact. energy: -0.932
local terms energy: -401.128928
where:
bonds (distance) C4'-P energy: -81.774
bonds (distance) P-C4' energy: -93.015
flat angles C4'-P-C4' energy: -100.288
flat angles P-C4'-P energy: -54.274
tors. eta vs tors. theta energy: -71.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -805.498730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.498730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.498730 (E_RNA)
where:
Base-Base interactions energy: -495.006
where: short stacking energy: -242.532
Base-Backbone interact. energy: 3.158
local terms energy: -313.651180
where:
bonds (distance) C4'-P energy: -65.757
bonds (distance) P-C4' energy: -75.520
flat angles C4'-P-C4' energy: -76.382
flat angles P-C4'-P energy: -61.572
tors. eta vs tors. theta energy: -34.420
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: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -662.650121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.650121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.650121 (E_RNA)
where:
Base-Base interactions energy: -361.916
where: short stacking energy: -167.058
Base-Backbone interact. energy: -1.634
local terms energy: -299.100099
where:
bonds (distance) C4'-P energy: -89.874
bonds (distance) P-C4' energy: -86.264
flat angles C4'-P-C4' energy: -80.283
flat angles P-C4'-P energy: -51.649
tors. eta vs tors. theta energy: 8.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1876.610595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.610595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.610595 (E_RNA)
where:
Base-Base interactions energy: -1322.332
where: short stacking energy: -541.615
Base-Backbone interact. energy: -6.063
local terms energy: -548.215793
where:
bonds (distance) C4'-P energy: -99.988
bonds (distance) P-C4' energy: -93.520
flat angles C4'-P-C4' energy: -127.220
flat angles P-C4'-P energy: -86.664
tors. eta vs tors. theta energy: -140.824
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: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1789.673826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.673826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.673826 (E_RNA)
where:
Base-Base interactions energy: -1254.228
where: short stacking energy: -496.544
Base-Backbone interact. energy: -2.958
local terms energy: -532.488379
where:
bonds (distance) C4'-P energy: -103.005
bonds (distance) P-C4' energy: -90.348
flat angles C4'-P-C4' energy: -109.866
flat angles P-C4'-P energy: -77.310
tors. eta vs tors. theta energy: -151.960
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: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1712.564229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.564229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.564229 (E_RNA)
where:
Base-Base interactions energy: -1213.234
where: short stacking energy: -479.223
Base-Backbone interact. energy: 0.601
local terms energy: -499.930308
where:
bonds (distance) C4'-P energy: -91.706
bonds (distance) P-C4' energy: -101.320
flat angles C4'-P-C4' energy: -117.520
flat angles P-C4'-P energy: -64.469
tors. eta vs tors. theta energy: -124.915
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: 461
Temperature: 1.050000
Total energy: -1604.623734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.623734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.623734 (E_RNA)
where:
Base-Base interactions energy: -1138.826
where: short stacking energy: -477.280
Base-Backbone interact. energy: -0.835
local terms energy: -464.962496
where:
bonds (distance) C4'-P energy: -100.571
bonds (distance) P-C4' energy: -89.958
flat angles C4'-P-C4' energy: -105.250
flat angles P-C4'-P energy: -47.283
tors. eta vs tors. theta energy: -121.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1544.236926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.236926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.236926 (E_RNA)
where:
Base-Base interactions energy: -1055.735
where: short stacking energy: -433.391
Base-Backbone interact. energy: -2.280
local terms energy: -486.221874
where:
bonds (distance) C4'-P energy: -94.282
bonds (distance) P-C4' energy: -103.141
flat angles C4'-P-C4' energy: -101.529
flat angles P-C4'-P energy: -71.853
tors. eta vs tors. theta energy: -115.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1498.923695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.923695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.923695 (E_RNA)
where:
Base-Base interactions energy: -1067.332
where: short stacking energy: -440.377
Base-Backbone interact. energy: -2.401
local terms energy: -429.191146
where:
bonds (distance) C4'-P energy: -80.816
bonds (distance) P-C4' energy: -83.748
flat angles C4'-P-C4' energy: -96.386
flat angles P-C4'-P energy: -59.812
tors. eta vs tors. theta energy: -108.430
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: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1295.793680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.793680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.793680 (E_RNA)
where:
Base-Base interactions energy: -884.775
where: short stacking energy: -383.536
Base-Backbone interact. energy: -0.030
local terms energy: -410.989357
where:
bonds (distance) C4'-P energy: -86.022
bonds (distance) P-C4' energy: -88.653
flat angles C4'-P-C4' energy: -92.058
flat angles P-C4'-P energy: -65.149
tors. eta vs tors. theta energy: -79.107
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: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1122.360061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.360061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.360061 (E_RNA)
where:
Base-Base interactions energy: -759.311
where: short stacking energy: -319.782
Base-Backbone interact. energy: -0.354
local terms energy: -362.695837
where:
bonds (distance) C4'-P energy: -74.635
bonds (distance) P-C4' energy: -80.555
flat angles C4'-P-C4' energy: -90.765
flat angles P-C4'-P energy: -59.615
tors. eta vs tors. theta energy: -57.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -829.884961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.884961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.884961 (E_RNA)
where:
Base-Base interactions energy: -492.392
where: short stacking energy: -232.276
Base-Backbone interact. energy: -2.084
local terms energy: -335.408378
where:
bonds (distance) C4'-P energy: -76.118
bonds (distance) P-C4' energy: -85.287
flat angles C4'-P-C4' energy: -92.841
flat angles P-C4'-P energy: -47.837
tors. eta vs tors. theta energy: -33.326
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: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -613.486309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.486309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.486309 (E_RNA)
where:
Base-Base interactions energy: -359.008
where: short stacking energy: -162.274
Base-Backbone interact. energy: -2.571
local terms energy: -251.906987
where:
bonds (distance) C4'-P energy: -63.809
bonds (distance) P-C4' energy: -88.380
flat angles C4'-P-C4' energy: -50.842
flat angles P-C4'-P energy: -56.107
tors. eta vs tors. theta energy: 7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1848.404073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.404073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.404073 (E_RNA)
where:
Base-Base interactions energy: -1310.588
where: short stacking energy: -509.937
Base-Backbone interact. energy: -2.788
local terms energy: -535.028102
where:
bonds (distance) C4'-P energy: -113.400
bonds (distance) P-C4' energy: -99.530
flat angles C4'-P-C4' energy: -109.295
flat angles P-C4'-P energy: -77.374
tors. eta vs tors. theta energy: -135.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1778.241839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.241839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.241839 (E_RNA)
where:
Base-Base interactions energy: -1267.974
where: short stacking energy: -500.454
Base-Backbone interact. energy: -3.722
local terms energy: -506.545166
where:
bonds (distance) C4'-P energy: -81.381
bonds (distance) P-C4' energy: -109.948
flat angles C4'-P-C4' energy: -100.421
flat angles P-C4'-P energy: -80.445
tors. eta vs tors. theta energy: -134.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1714.244143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.244143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.244143 (E_RNA)
where:
Base-Base interactions energy: -1191.332
where: short stacking energy: -476.985
Base-Backbone interact. energy: -2.061
local terms energy: -520.851411
where:
bonds (distance) C4'-P energy: -88.469
bonds (distance) P-C4' energy: -104.801
flat angles C4'-P-C4' energy: -112.798
flat angles P-C4'-P energy: -82.922
tors. eta vs tors. theta energy: -131.862
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: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1654.369395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.369395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.369395 (E_RNA)
where:
Base-Base interactions energy: -1174.822
where: short stacking energy: -491.017
Base-Backbone interact. energy: 2.227
local terms energy: -481.773752
where:
bonds (distance) C4'-P energy: -82.578
bonds (distance) P-C4' energy: -99.783
flat angles C4'-P-C4' energy: -101.679
flat angles P-C4'-P energy: -74.139
tors. eta vs tors. theta energy: -123.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1574.192214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.192214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.192214 (E_RNA)
where:
Base-Base interactions energy: -1094.702
where: short stacking energy: -463.888
Base-Backbone interact. energy: 1.074
local terms energy: -480.564021
where:
bonds (distance) C4'-P energy: -89.101
bonds (distance) P-C4' energy: -89.471
flat angles C4'-P-C4' energy: -108.539
flat angles P-C4'-P energy: -57.804
tors. eta vs tors. theta energy: -135.649
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: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1463.866348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.866348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.866348 (E_RNA)
where:
Base-Base interactions energy: -989.921
where: short stacking energy: -433.811
Base-Backbone interact. energy: -0.892
local terms energy: -473.053507
where:
bonds (distance) C4'-P energy: -98.939
bonds (distance) P-C4' energy: -97.631
flat angles C4'-P-C4' energy: -104.536
flat angles P-C4'-P energy: -57.100
tors. eta vs tors. theta energy: -114.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1291.558987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.558987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.558987 (E_RNA)
where:
Base-Base interactions energy: -892.745
where: short stacking energy: -350.299
Base-Backbone interact. energy: 0.194
local terms energy: -399.008079
where:
bonds (distance) C4'-P energy: -82.375
bonds (distance) P-C4' energy: -102.196
flat angles C4'-P-C4' energy: -95.611
flat angles P-C4'-P energy: -37.488
tors. eta vs tors. theta energy: -81.338
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: 462
Temperature: 1.250000
Total energy: -1106.438196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.438196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.438196 (E_RNA)
where:
Base-Base interactions energy: -733.569
where: short stacking energy: -318.839
Base-Backbone interact. energy: 0.048
local terms energy: -372.917555
where:
bonds (distance) C4'-P energy: -95.916
bonds (distance) P-C4' energy: -67.493
flat angles C4'-P-C4' energy: -88.238
flat angles P-C4'-P energy: -63.226
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: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -867.539858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.539858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.539858 (E_RNA)
where:
Base-Base interactions energy: -527.781
where: short stacking energy: -250.142
Base-Backbone interact. energy: -3.521
local terms energy: -336.237915
where:
bonds (distance) C4'-P energy: -76.358
bonds (distance) P-C4' energy: -80.635
flat angles C4'-P-C4' energy: -86.464
flat angles P-C4'-P energy: -59.363
tors. eta vs tors. theta energy: -33.418
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: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -561.788200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.788200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.788200 (E_RNA)
where:
Base-Base interactions energy: -289.705
where: short stacking energy: -160.271
Base-Backbone interact. energy: 8.785
local terms energy: -280.868025
where:
bonds (distance) C4'-P energy: -64.775
bonds (distance) P-C4' energy: -88.139
flat angles C4'-P-C4' energy: -72.545
flat angles P-C4'-P energy: -50.511
tors. eta vs tors. theta energy: -4.898
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: 463
Temperature: 0.900000
Total energy: -1842.343045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.343045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.343045 (E_RNA)
where:
Base-Base interactions energy: -1301.154
where: short stacking energy: -516.403
Base-Backbone interact. energy: -1.568
local terms energy: -539.621761
where:
bonds (distance) C4'-P energy: -106.139
bonds (distance) P-C4' energy: -105.175
flat angles C4'-P-C4' energy: -106.051
flat angles P-C4'-P energy: -78.204
tors. eta vs tors. theta energy: -144.053
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: 463
Temperature: 0.950000
Total energy: -1756.584935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.584935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.584935 (E_RNA)
where:
Base-Base interactions energy: -1249.353
where: short stacking energy: -478.362
Base-Backbone interact. energy: -4.144
local terms energy: -503.087897
where:
bonds (distance) C4'-P energy: -96.193
bonds (distance) P-C4' energy: -94.098
flat angles C4'-P-C4' energy: -106.421
flat angles P-C4'-P energy: -68.072
tors. eta vs tors. theta energy: -138.304
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: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1689.203061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.203061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.203061 (E_RNA)
where:
Base-Base interactions energy: -1190.209
where: short stacking energy: -504.723
Base-Backbone interact. energy: -1.604
local terms energy: -497.389699
where:
bonds (distance) C4'-P energy: -93.154
bonds (distance) P-C4' energy: -94.935
flat angles C4'-P-C4' energy: -109.826
flat angles P-C4'-P energy: -74.826
tors. eta vs tors. theta energy: -124.649
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: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1633.869873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.869873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.869873 (E_RNA)
where:
Base-Base interactions energy: -1153.359
where: short stacking energy: -472.693
Base-Backbone interact. energy: -0.958
local terms energy: -479.552638
where:
bonds (distance) C4'-P energy: -74.167
bonds (distance) P-C4' energy: -93.393
flat angles C4'-P-C4' energy: -107.070
flat angles P-C4'-P energy: -82.531
tors. eta vs tors. theta energy: -122.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1535.237264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.237264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.237264 (E_RNA)
where:
Base-Base interactions energy: -1093.479
where: short stacking energy: -453.659
Base-Backbone interact. energy: -0.265
local terms energy: -441.493376
where:
bonds (distance) C4'-P energy: -76.403
bonds (distance) P-C4' energy: -100.584
flat angles C4'-P-C4' energy: -101.310
flat angles P-C4'-P energy: -51.457
tors. eta vs tors. theta energy: -111.739
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: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1501.536788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.536788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.536788 (E_RNA)
where:
Base-Base interactions energy: -1041.133
where: short stacking energy: -455.832
Base-Backbone interact. energy: -3.600
local terms energy: -456.803508
where:
bonds (distance) C4'-P energy: -85.252
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -113.953
flat angles P-C4'-P energy: -52.048
tors. eta vs tors. theta energy: -114.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1285.037337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.037337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.037337 (E_RNA)
where:
Base-Base interactions energy: -858.876
where: short stacking energy: -352.675
Base-Backbone interact. energy: 0.022
local terms energy: -426.183727
where:
bonds (distance) C4'-P energy: -90.937
bonds (distance) P-C4' energy: -93.592
flat angles C4'-P-C4' energy: -91.313
flat angles P-C4'-P energy: -64.214
tors. eta vs tors. theta energy: -86.129
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: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1136.080004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.080004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.080004 (E_RNA)
where:
Base-Base interactions energy: -729.600
where: short stacking energy: -338.186
Base-Backbone interact. energy: 4.395
local terms energy: -410.875590
where:
bonds (distance) C4'-P energy: -86.603
bonds (distance) P-C4' energy: -90.330
flat angles C4'-P-C4' energy: -97.902
flat angles P-C4'-P energy: -54.245
tors. eta vs tors. theta energy: -81.796
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: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -866.909852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.909852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.909852 (E_RNA)
where:
Base-Base interactions energy: -525.676
where: short stacking energy: -239.674
Base-Backbone interact. energy: -0.831
local terms energy: -340.402111
where:
bonds (distance) C4'-P energy: -75.443
bonds (distance) P-C4' energy: -97.885
flat angles C4'-P-C4' energy: -73.975
flat angles P-C4'-P energy: -67.162
tors. eta vs tors. theta energy: -25.938
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: 463
Temperature: 1.350000
Total energy: -558.610223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.610223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.610223 (E_RNA)
where:
Base-Base interactions energy: -271.205
where: short stacking energy: -166.030
Base-Backbone interact. energy: -0.390
local terms energy: -287.015261
where:
bonds (distance) C4'-P energy: -84.340
bonds (distance) P-C4' energy: -71.142
flat angles C4'-P-C4' energy: -88.301
flat angles P-C4'-P energy: -42.501
tors. eta vs tors. theta energy: -0.731
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: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1850.056589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.056589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.056589 (E_RNA)
where:
Base-Base interactions energy: -1322.022
where: short stacking energy: -524.205
Base-Backbone interact. energy: 0.907
local terms energy: -528.941535
where:
bonds (distance) C4'-P energy: -96.165
bonds (distance) P-C4' energy: -95.721
flat angles C4'-P-C4' energy: -126.456
flat angles P-C4'-P energy: -75.809
tors. eta vs tors. theta energy: -134.791
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: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1779.297317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.297317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.297317 (E_RNA)
where:
Base-Base interactions energy: -1255.747
where: short stacking energy: -506.406
Base-Backbone interact. energy: -3.136
local terms energy: -520.413864
where:
bonds (distance) C4'-P energy: -92.123
bonds (distance) P-C4' energy: -101.344
flat angles C4'-P-C4' energy: -103.709
flat angles P-C4'-P energy: -76.966
tors. eta vs tors. theta energy: -146.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1695.777318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.777318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.777318 (E_RNA)
where:
Base-Base interactions energy: -1173.379
where: short stacking energy: -489.374
Base-Backbone interact. energy: -0.703
local terms energy: -521.695868
where:
bonds (distance) C4'-P energy: -95.078
bonds (distance) P-C4' energy: -97.022
flat angles C4'-P-C4' energy: -114.828
flat angles P-C4'-P energy: -78.716
tors. eta vs tors. theta energy: -136.051
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: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1650.276909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.276909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.276909 (E_RNA)
where:
Base-Base interactions energy: -1150.543
where: short stacking energy: -482.288
Base-Backbone interact. energy: -2.378
local terms energy: -497.355879
where:
bonds (distance) C4'-P energy: -94.005
bonds (distance) P-C4' energy: -93.650
flat angles C4'-P-C4' energy: -116.375
flat angles P-C4'-P energy: -70.795
tors. eta vs tors. theta energy: -122.532
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: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1532.172574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.172574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.172574 (E_RNA)
where:
Base-Base interactions energy: -1055.582
where: short stacking energy: -423.986
Base-Backbone interact. energy: -4.697
local terms energy: -471.893668
where:
bonds (distance) C4'-P energy: -84.802
bonds (distance) P-C4' energy: -95.435
flat angles C4'-P-C4' energy: -106.227
flat angles P-C4'-P energy: -69.669
tors. eta vs tors. theta energy: -115.761
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: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1466.384342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.384342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.384342 (E_RNA)
where:
Base-Base interactions energy: -1021.266
where: short stacking energy: -441.178
Base-Backbone interact. energy: 0.334
local terms energy: -445.452264
where:
bonds (distance) C4'-P energy: -78.067
bonds (distance) P-C4' energy: -84.278
flat angles C4'-P-C4' energy: -107.848
flat angles P-C4'-P energy: -65.464
tors. eta vs tors. theta energy: -109.795
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: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1309.792189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.792189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.792189 (E_RNA)
where:
Base-Base interactions energy: -894.208
where: short stacking energy: -393.636
Base-Backbone interact. energy: 0.527
local terms energy: -416.110995
where:
bonds (distance) C4'-P energy: -73.982
bonds (distance) P-C4' energy: -92.261
flat angles C4'-P-C4' energy: -85.136
flat angles P-C4'-P energy: -67.804
tors. eta vs tors. theta energy: -96.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1136.904689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.904689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.904689 (E_RNA)
where:
Base-Base interactions energy: -743.696
where: short stacking energy: -332.557
Base-Backbone interact. energy: 2.954
local terms energy: -396.162149
where:
bonds (distance) C4'-P energy: -88.678
bonds (distance) P-C4' energy: -81.846
flat angles C4'-P-C4' energy: -88.175
flat angles P-C4'-P energy: -62.593
tors. eta vs tors. theta energy: -74.870
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: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -875.325197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.325197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.325197 (E_RNA)
where:
Base-Base interactions energy: -526.337
where: short stacking energy: -249.172
Base-Backbone interact. energy: 0.361
local terms energy: -349.349259
where:
bonds (distance) C4'-P energy: -105.316
bonds (distance) P-C4' energy: -85.155
flat angles C4'-P-C4' energy: -91.879
flat angles P-C4'-P energy: -34.644
tors. eta vs tors. theta energy: -32.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -559.653880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.653880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.653880 (E_RNA)
where:
Base-Base interactions energy: -262.807
where: short stacking energy: -141.341
Base-Backbone interact. energy: -0.198
local terms energy: -296.649053
where:
bonds (distance) C4'-P energy: -78.559
bonds (distance) P-C4' energy: -102.369
flat angles C4'-P-C4' energy: -86.699
flat angles P-C4'-P energy: -45.500
tors. eta vs tors. theta energy: 16.478
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: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1869.029994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.029994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.029994 (E_RNA)
where:
Base-Base interactions energy: -1357.958
where: short stacking energy: -521.377
Base-Backbone interact. energy: -1.651
local terms energy: -509.420119
where:
bonds (distance) C4'-P energy: -86.928
bonds (distance) P-C4' energy: -95.175
flat angles C4'-P-C4' energy: -113.850
flat angles P-C4'-P energy: -77.023
tors. eta vs tors. theta energy: -136.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1787.028023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.028023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.028023 (E_RNA)
where:
Base-Base interactions energy: -1254.408
where: short stacking energy: -477.048
Base-Backbone interact. energy: -6.054
local terms energy: -526.565916
where:
bonds (distance) C4'-P energy: -101.726
bonds (distance) P-C4' energy: -99.281
flat angles C4'-P-C4' energy: -103.098
flat angles P-C4'-P energy: -83.166
tors. eta vs tors. theta energy: -139.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1694.334292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.334292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.334292 (E_RNA)
where:
Base-Base interactions energy: -1191.598
where: short stacking energy: -477.261
Base-Backbone interact. energy: -0.494
local terms energy: -502.242056
where:
bonds (distance) C4'-P energy: -93.961
bonds (distance) P-C4' energy: -95.089
flat angles C4'-P-C4' energy: -110.747
flat angles P-C4'-P energy: -73.987
tors. eta vs tors. theta energy: -128.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1637.388578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.388578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.388578 (E_RNA)
where:
Base-Base interactions energy: -1145.948
where: short stacking energy: -456.982
Base-Backbone interact. energy: -0.179
local terms energy: -491.261731
where:
bonds (distance) C4'-P energy: -82.350
bonds (distance) P-C4' energy: -103.247
flat angles C4'-P-C4' energy: -109.935
flat angles P-C4'-P energy: -80.463
tors. eta vs tors. theta energy: -115.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1532.672654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.672654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.672654 (E_RNA)
where:
Base-Base interactions energy: -1044.981
where: short stacking energy: -426.824
Base-Backbone interact. energy: -1.161
local terms energy: -486.530899
where:
bonds (distance) C4'-P energy: -99.434
bonds (distance) P-C4' energy: -109.068
flat angles C4'-P-C4' energy: -95.420
flat angles P-C4'-P energy: -67.414
tors. eta vs tors. theta energy: -115.194
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: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1438.239108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.239108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.239108 (E_RNA)
where:
Base-Base interactions energy: -1000.730
where: short stacking energy: -421.454
Base-Backbone interact. energy: 8.780
local terms energy: -446.289297
where:
bonds (distance) C4'-P energy: -75.021
bonds (distance) P-C4' energy: -87.451
flat angles C4'-P-C4' energy: -106.424
flat angles P-C4'-P energy: -66.426
tors. eta vs tors. theta energy: -110.967
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: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1328.280801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.280801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.280801 (E_RNA)
where:
Base-Base interactions energy: -937.089
where: short stacking energy: -388.825
Base-Backbone interact. energy: 4.183
local terms energy: -395.374874
where:
bonds (distance) C4'-P energy: -90.898
bonds (distance) P-C4' energy: -61.249
flat angles C4'-P-C4' energy: -96.038
flat angles P-C4'-P energy: -54.909
tors. eta vs tors. theta energy: -92.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1145.091833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.091833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.091833 (E_RNA)
where:
Base-Base interactions energy: -780.949
where: short stacking energy: -326.380
Base-Backbone interact. energy: 0.346
local terms energy: -364.488783
where:
bonds (distance) C4'-P energy: -74.063
bonds (distance) P-C4' energy: -86.442
flat angles C4'-P-C4' energy: -91.392
flat angles P-C4'-P energy: -45.686
tors. eta vs tors. theta energy: -66.906
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: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -858.670474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.670474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.670474 (E_RNA)
where:
Base-Base interactions energy: -537.068
where: short stacking energy: -240.678
Base-Backbone interact. energy: -1.036
local terms energy: -320.566629
where:
bonds (distance) C4'-P energy: -70.071
bonds (distance) P-C4' energy: -87.068
flat angles C4'-P-C4' energy: -82.629
flat angles P-C4'-P energy: -53.154
tors. eta vs tors. theta energy: -27.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -587.205201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.205201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.205201 (E_RNA)
where:
Base-Base interactions energy: -294.879
where: short stacking energy: -187.898
Base-Backbone interact. energy: 0.219
local terms energy: -292.544599
where:
bonds (distance) C4'-P energy: -97.745
bonds (distance) P-C4' energy: -78.106
flat angles C4'-P-C4' energy: -63.128
flat angles P-C4'-P energy: -47.328
tors. eta vs tors. theta energy: -6.238
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: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1889.467421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.467421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.467421 (E_RNA)
where:
Base-Base interactions energy: -1363.208
where: short stacking energy: -531.047
Base-Backbone interact. energy: -3.427
local terms energy: -522.832879
where:
bonds (distance) C4'-P energy: -84.973
bonds (distance) P-C4' energy: -109.927
flat angles C4'-P-C4' energy: -112.341
flat angles P-C4'-P energy: -85.431
tors. eta vs tors. theta energy: -130.161
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: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1784.576563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.576563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.576563 (E_RNA)
where:
Base-Base interactions energy: -1248.884
where: short stacking energy: -516.528
Base-Backbone interact. energy: -3.024
local terms energy: -532.668847
where:
bonds (distance) C4'-P energy: -101.039
bonds (distance) P-C4' energy: -105.795
flat angles C4'-P-C4' energy: -110.364
flat angles P-C4'-P energy: -74.865
tors. eta vs tors. theta energy: -140.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1647.309542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.309542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.309542 (E_RNA)
where:
Base-Base interactions energy: -1186.190
where: short stacking energy: -478.593
Base-Backbone interact. energy: 1.858
local terms energy: -462.977758
where:
bonds (distance) C4'-P energy: -89.397
bonds (distance) P-C4' energy: -87.714
flat angles C4'-P-C4' energy: -105.621
flat angles P-C4'-P energy: -70.933
tors. eta vs tors. theta energy: -109.313
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: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1643.408135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.408135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.408135 (E_RNA)
where:
Base-Base interactions energy: -1168.552
where: short stacking energy: -468.542
Base-Backbone interact. energy: -0.853
local terms energy: -474.002424
where:
bonds (distance) C4'-P energy: -75.692
bonds (distance) P-C4' energy: -99.866
flat angles C4'-P-C4' energy: -116.021
flat angles P-C4'-P energy: -68.665
tors. eta vs tors. theta energy: -113.759
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: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1542.856609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.856609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.856609 (E_RNA)
where:
Base-Base interactions energy: -1075.984
where: short stacking energy: -442.603
Base-Backbone interact. energy: 1.171
local terms energy: -468.043386
where:
bonds (distance) C4'-P energy: -97.533
bonds (distance) P-C4' energy: -91.288
flat angles C4'-P-C4' energy: -105.894
flat angles P-C4'-P energy: -68.045
tors. eta vs tors. theta energy: -105.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1452.181251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.181251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.181251 (E_RNA)
where:
Base-Base interactions energy: -994.127
where: short stacking energy: -412.975
Base-Backbone interact. energy: -0.795
local terms energy: -457.258944
where:
bonds (distance) C4'-P energy: -109.008
bonds (distance) P-C4' energy: -92.912
flat angles C4'-P-C4' energy: -91.257
flat angles P-C4'-P energy: -60.505
tors. eta vs tors. theta energy: -103.576
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: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1421.108181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.108181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.108181 (E_RNA)
where:
Base-Base interactions energy: -980.147
where: short stacking energy: -382.436
Base-Backbone interact. energy: 1.818
local terms energy: -442.779010
where:
bonds (distance) C4'-P energy: -72.603
bonds (distance) P-C4' energy: -91.764
flat angles C4'-P-C4' energy: -95.300
flat angles P-C4'-P energy: -70.531
tors. eta vs tors. theta energy: -112.581
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: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1141.059878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.059878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.059878 (E_RNA)
where:
Base-Base interactions energy: -768.325
where: short stacking energy: -327.788
Base-Backbone interact. energy: -2.969
local terms energy: -369.765964
where:
bonds (distance) C4'-P energy: -84.409
bonds (distance) P-C4' energy: -95.094
flat angles C4'-P-C4' energy: -78.811
flat angles P-C4'-P energy: -50.210
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: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -899.214847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.214847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.214847 (E_RNA)
where:
Base-Base interactions energy: -545.419
where: short stacking energy: -255.608
Base-Backbone interact. energy: -0.831
local terms energy: -352.965057
where:
bonds (distance) C4'-P energy: -79.450
bonds (distance) P-C4' energy: -95.320
flat angles C4'-P-C4' energy: -87.607
flat angles P-C4'-P energy: -50.742
tors. eta vs tors. theta energy: -39.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -549.997468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.997468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.997468 (E_RNA)
where:
Base-Base interactions energy: -258.786
where: short stacking energy: -157.992
Base-Backbone interact. energy: 0.781
local terms energy: -291.992408
where:
bonds (distance) C4'-P energy: -76.240
bonds (distance) P-C4' energy: -94.878
flat angles C4'-P-C4' energy: -85.859
flat angles P-C4'-P energy: -39.606
tors. eta vs tors. theta energy: 4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1889.171625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.171625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.171625 (E_RNA)
where:
Base-Base interactions energy: -1318.444
where: short stacking energy: -518.063
Base-Backbone interact. energy: -2.314
local terms energy: -568.413722
where:
bonds (distance) C4'-P energy: -114.903
bonds (distance) P-C4' energy: -117.787
flat angles C4'-P-C4' energy: -119.166
flat angles P-C4'-P energy: -83.849
tors. eta vs tors. theta energy: -132.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1774.948338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.948338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.948338 (E_RNA)
where:
Base-Base interactions energy: -1253.654
where: short stacking energy: -535.469
Base-Backbone interact. energy: 2.723
local terms energy: -524.018037
where:
bonds (distance) C4'-P energy: -98.120
bonds (distance) P-C4' energy: -96.217
flat angles C4'-P-C4' energy: -117.842
flat angles P-C4'-P energy: -60.990
tors. eta vs tors. theta energy: -150.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1616.940518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.940518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.940518 (E_RNA)
where:
Base-Base interactions energy: -1135.654
where: short stacking energy: -467.976
Base-Backbone interact. energy: -3.257
local terms energy: -478.029539
where:
bonds (distance) C4'-P energy: -86.327
bonds (distance) P-C4' energy: -99.965
flat angles C4'-P-C4' energy: -102.093
flat angles P-C4'-P energy: -61.766
tors. eta vs tors. theta energy: -127.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1628.223822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.223822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.223822 (E_RNA)
where:
Base-Base interactions energy: -1127.507
where: short stacking energy: -448.851
Base-Backbone interact. energy: -0.061
local terms energy: -500.655433
where:
bonds (distance) C4'-P energy: -97.279
bonds (distance) P-C4' energy: -91.392
flat angles C4'-P-C4' energy: -113.686
flat angles P-C4'-P energy: -75.787
tors. eta vs tors. theta energy: -122.511
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: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1559.782146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.782146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.782146 (E_RNA)
where:
Base-Base interactions energy: -1114.644
where: short stacking energy: -410.232
Base-Backbone interact. energy: -3.650
local terms energy: -441.487823
where:
bonds (distance) C4'-P energy: -90.982
bonds (distance) P-C4' energy: -94.021
flat angles C4'-P-C4' energy: -94.956
flat angles P-C4'-P energy: -65.386
tors. eta vs tors. theta energy: -96.143
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: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1455.771205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.771205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.771205 (E_RNA)
where:
Base-Base interactions energy: -1015.120
where: short stacking energy: -412.042
Base-Backbone interact. energy: 1.669
local terms energy: -442.319975
where:
bonds (distance) C4'-P energy: -81.065
bonds (distance) P-C4' energy: -91.834
flat angles C4'-P-C4' energy: -95.812
flat angles P-C4'-P energy: -62.262
tors. eta vs tors. theta energy: -111.346
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: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1407.496702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.496702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.496702 (E_RNA)
where:
Base-Base interactions energy: -977.746
where: short stacking energy: -413.676
Base-Backbone interact. energy: 3.177
local terms energy: -432.927675
where:
bonds (distance) C4'-P energy: -92.818
bonds (distance) P-C4' energy: -87.683
flat angles C4'-P-C4' energy: -94.479
flat angles P-C4'-P energy: -57.255
tors. eta vs tors. theta energy: -100.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1156.444465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.444465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.444465 (E_RNA)
where:
Base-Base interactions energy: -764.848
where: short stacking energy: -320.278
Base-Backbone interact. energy: 1.044
local terms energy: -392.640599
where:
bonds (distance) C4'-P energy: -82.019
bonds (distance) P-C4' energy: -77.833
flat angles C4'-P-C4' energy: -93.185
flat angles P-C4'-P energy: -64.328
tors. eta vs tors. theta energy: -75.276
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: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -863.798560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.798560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.798560 (E_RNA)
where:
Base-Base interactions energy: -561.326
where: short stacking energy: -261.217
Base-Backbone interact. energy: 1.008
local terms energy: -303.481064
where:
bonds (distance) C4'-P energy: -68.462
bonds (distance) P-C4' energy: -89.885
flat angles C4'-P-C4' energy: -78.113
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -573.811708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.811708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.811708 (E_RNA)
where:
Base-Base interactions energy: -300.650
where: short stacking energy: -181.269
Base-Backbone interact. energy: 2.271
local terms energy: -275.432013
where:
bonds (distance) C4'-P energy: -65.097
bonds (distance) P-C4' energy: -84.288
flat angles C4'-P-C4' energy: -71.389
flat angles P-C4'-P energy: -47.810
tors. eta vs tors. theta energy: -6.848
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: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1894.363176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.363176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.363176 (E_RNA)
where:
Base-Base interactions energy: -1338.383
where: short stacking energy: -522.123
Base-Backbone interact. energy: -5.582
local terms energy: -550.398397
where:
bonds (distance) C4'-P energy: -93.861
bonds (distance) P-C4' energy: -107.178
flat angles C4'-P-C4' energy: -117.054
flat angles P-C4'-P energy: -84.315
tors. eta vs tors. theta energy: -147.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1757.298609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.298609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.298609 (E_RNA)
where:
Base-Base interactions energy: -1236.422
where: short stacking energy: -506.812
Base-Backbone interact. energy: 1.129
local terms energy: -522.006254
where:
bonds (distance) C4'-P energy: -105.541
bonds (distance) P-C4' energy: -105.220
flat angles C4'-P-C4' energy: -110.411
flat angles P-C4'-P energy: -65.198
tors. eta vs tors. theta energy: -135.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1673.478245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.478245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.478245 (E_RNA)
where:
Base-Base interactions energy: -1190.725
where: short stacking energy: -479.334
Base-Backbone interact. energy: 1.087
local terms energy: -483.840429
where:
bonds (distance) C4'-P energy: -82.250
bonds (distance) P-C4' energy: -96.671
flat angles C4'-P-C4' energy: -112.543
flat angles P-C4'-P energy: -68.160
tors. eta vs tors. theta energy: -124.215
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: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1614.557638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.557638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.557638 (E_RNA)
where:
Base-Base interactions energy: -1121.096
where: short stacking energy: -468.686
Base-Backbone interact. energy: 6.066
local terms energy: -499.527458
where:
bonds (distance) C4'-P energy: -103.279
bonds (distance) P-C4' energy: -107.813
flat angles C4'-P-C4' energy: -101.534
flat angles P-C4'-P energy: -59.793
tors. eta vs tors. theta energy: -127.109
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: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1586.205352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.205352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.205352 (E_RNA)
where:
Base-Base interactions energy: -1109.895
where: short stacking energy: -449.012
Base-Backbone interact. energy: -1.910
local terms energy: -474.399923
where:
bonds (distance) C4'-P energy: -92.710
bonds (distance) P-C4' energy: -83.499
flat angles C4'-P-C4' energy: -106.008
flat angles P-C4'-P energy: -74.445
tors. eta vs tors. theta energy: -117.738
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: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1426.426428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.426428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.426428 (E_RNA)
where:
Base-Base interactions energy: -978.522
where: short stacking energy: -426.149
Base-Backbone interact. energy: -3.472
local terms energy: -444.432398
where:
bonds (distance) C4'-P energy: -82.310
bonds (distance) P-C4' energy: -97.304
flat angles C4'-P-C4' energy: -90.007
flat angles P-C4'-P energy: -61.347
tors. eta vs tors. theta energy: -113.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1425.174252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.174252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.174252 (E_RNA)
where:
Base-Base interactions energy: -1031.571
where: short stacking energy: -423.182
Base-Backbone interact. energy: -1.211
local terms energy: -392.392164
where:
bonds (distance) C4'-P energy: -83.279
bonds (distance) P-C4' energy: -76.766
flat angles C4'-P-C4' energy: -80.279
flat angles P-C4'-P energy: -54.990
tors. eta vs tors. theta energy: -97.078
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: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1092.165734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.165734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.165734 (E_RNA)
where:
Base-Base interactions energy: -697.850
where: short stacking energy: -287.219
Base-Backbone interact. energy: 3.031
local terms energy: -397.347198
where:
bonds (distance) C4'-P energy: -92.854
bonds (distance) P-C4' energy: -88.001
flat angles C4'-P-C4' energy: -93.532
flat angles P-C4'-P energy: -57.182
tors. eta vs tors. theta energy: -65.779
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: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -858.247095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.247095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.247095 (E_RNA)
where:
Base-Base interactions energy: -513.701
where: short stacking energy: -235.513
Base-Backbone interact. energy: -3.084
local terms energy: -341.462497
where:
bonds (distance) C4'-P energy: -100.355
bonds (distance) P-C4' energy: -89.942
flat angles C4'-P-C4' energy: -89.333
flat angles P-C4'-P energy: -39.668
tors. eta vs tors. theta energy: -22.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -558.465232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.465232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.465232 (E_RNA)
where:
Base-Base interactions energy: -273.621
where: short stacking energy: -165.668
Base-Backbone interact. energy: -0.025
local terms energy: -284.819135
where:
bonds (distance) C4'-P energy: -59.306
bonds (distance) P-C4' energy: -103.267
flat angles C4'-P-C4' energy: -66.589
flat angles P-C4'-P energy: -44.178
tors. eta vs tors. theta energy: -11.480
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: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1873.304309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.304309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.304309 (E_RNA)
where:
Base-Base interactions energy: -1310.246
where: short stacking energy: -519.430
Base-Backbone interact. energy: 2.045
local terms energy: -565.103468
where:
bonds (distance) C4'-P energy: -106.572
bonds (distance) P-C4' energy: -111.285
flat angles C4'-P-C4' energy: -116.299
flat angles P-C4'-P energy: -83.415
tors. eta vs tors. theta energy: -147.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1796.426761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.426761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.426761 (E_RNA)
where:
Base-Base interactions energy: -1280.780
where: short stacking energy: -530.167
Base-Backbone interact. energy: -1.789
local terms energy: -513.858386
where:
bonds (distance) C4'-P energy: -94.098
bonds (distance) P-C4' energy: -98.591
flat angles C4'-P-C4' energy: -112.671
flat angles P-C4'-P energy: -65.767
tors. eta vs tors. theta energy: -142.731
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: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1698.699641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.699641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.699641 (E_RNA)
where:
Base-Base interactions energy: -1213.030
where: short stacking energy: -484.349
Base-Backbone interact. energy: 1.371
local terms energy: -487.040291
where:
bonds (distance) C4'-P energy: -90.415
bonds (distance) P-C4' energy: -87.576
flat angles C4'-P-C4' energy: -111.681
flat angles P-C4'-P energy: -70.525
tors. eta vs tors. theta energy: -126.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1639.384383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.384383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.384383 (E_RNA)
where:
Base-Base interactions energy: -1149.737
where: short stacking energy: -452.349
Base-Backbone interact. energy: 2.403
local terms energy: -492.050668
where:
bonds (distance) C4'-P energy: -83.358
bonds (distance) P-C4' energy: -105.882
flat angles C4'-P-C4' energy: -110.706
flat angles P-C4'-P energy: -75.421
tors. eta vs tors. theta energy: -116.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1526.436650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.436650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.436650 (E_RNA)
where:
Base-Base interactions energy: -1077.741
where: short stacking energy: -429.420
Base-Backbone interact. energy: -1.433
local terms energy: -447.261936
where:
bonds (distance) C4'-P energy: -84.306
bonds (distance) P-C4' energy: -75.174
flat angles C4'-P-C4' energy: -102.837
flat angles P-C4'-P energy: -71.635
tors. eta vs tors. theta energy: -113.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1460.782700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.782700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.782700 (E_RNA)
where:
Base-Base interactions energy: -1009.351
where: short stacking energy: -420.204
Base-Backbone interact. energy: -3.462
local terms energy: -447.970494
where:
bonds (distance) C4'-P energy: -86.534
bonds (distance) P-C4' energy: -84.060
flat angles C4'-P-C4' energy: -110.238
flat angles P-C4'-P energy: -62.619
tors. eta vs tors. theta energy: -104.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1397.504794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.504794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.504794 (E_RNA)
where:
Base-Base interactions energy: -939.118
where: short stacking energy: -409.056
Base-Backbone interact. energy: -2.413
local terms energy: -455.973632
where:
bonds (distance) C4'-P energy: -93.042
bonds (distance) P-C4' energy: -98.450
flat angles C4'-P-C4' energy: -88.684
flat angles P-C4'-P energy: -70.752
tors. eta vs tors. theta energy: -105.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1134.596914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.596914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.596914 (E_RNA)
where:
Base-Base interactions energy: -761.809
where: short stacking energy: -334.088
Base-Backbone interact. energy: 3.094
local terms energy: -375.882666
where:
bonds (distance) C4'-P energy: -81.621
bonds (distance) P-C4' energy: -92.258
flat angles C4'-P-C4' energy: -88.136
flat angles P-C4'-P energy: -52.122
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: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -889.944667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.944667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.944667 (E_RNA)
where:
Base-Base interactions energy: -553.844
where: short stacking energy: -262.901
Base-Backbone interact. energy: -3.646
local terms energy: -332.454203
where:
bonds (distance) C4'-P energy: -86.112
bonds (distance) P-C4' energy: -87.189
flat angles C4'-P-C4' energy: -84.046
flat angles P-C4'-P energy: -43.679
tors. eta vs tors. theta energy: -31.427
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: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -613.908544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.908544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.908544 (E_RNA)
where:
Base-Base interactions energy: -326.214
where: short stacking energy: -187.394
Base-Backbone interact. energy: 0.460
local terms energy: -288.154402
where:
bonds (distance) C4'-P energy: -79.462
bonds (distance) P-C4' energy: -88.065
flat angles C4'-P-C4' energy: -72.778
flat angles P-C4'-P energy: -48.117
tors. eta vs tors. theta energy: 0.266
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: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1864.652447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.652447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.652447 (E_RNA)
where:
Base-Base interactions energy: -1303.085
where: short stacking energy: -519.541
Base-Backbone interact. energy: -5.264
local terms energy: -556.302889
where:
bonds (distance) C4'-P energy: -103.968
bonds (distance) P-C4' energy: -103.597
flat angles C4'-P-C4' energy: -119.416
flat angles P-C4'-P energy: -78.119
tors. eta vs tors. theta energy: -151.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1824.949882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.949882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.949882 (E_RNA)
where:
Base-Base interactions energy: -1291.369
where: short stacking energy: -508.153
Base-Backbone interact. energy: -0.047
local terms energy: -533.533950
where:
bonds (distance) C4'-P energy: -90.679
bonds (distance) P-C4' energy: -99.535
flat angles C4'-P-C4' energy: -112.154
flat angles P-C4'-P energy: -92.039
tors. eta vs tors. theta energy: -139.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1709.728271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.728271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.728271 (E_RNA)
where:
Base-Base interactions energy: -1207.939
where: short stacking energy: -494.526
Base-Backbone interact. energy: -3.517
local terms energy: -498.272606
where:
bonds (distance) C4'-P energy: -87.038
bonds (distance) P-C4' energy: -103.799
flat angles C4'-P-C4' energy: -108.389
flat angles P-C4'-P energy: -71.473
tors. eta vs tors. theta energy: -127.573
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: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1658.494166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.494166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.494166 (E_RNA)
where:
Base-Base interactions energy: -1162.203
where: short stacking energy: -458.547
Base-Backbone interact. energy: -2.962
local terms energy: -493.328923
where:
bonds (distance) C4'-P energy: -94.255
bonds (distance) P-C4' energy: -97.139
flat angles C4'-P-C4' energy: -112.874
flat angles P-C4'-P energy: -62.400
tors. eta vs tors. theta energy: -126.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1553.174137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.174137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.174137 (E_RNA)
where:
Base-Base interactions energy: -1086.159
where: short stacking energy: -451.237
Base-Backbone interact. energy: -2.781
local terms energy: -464.234239
where:
bonds (distance) C4'-P energy: -85.012
bonds (distance) P-C4' energy: -91.542
flat angles C4'-P-C4' energy: -106.896
flat angles P-C4'-P energy: -63.549
tors. eta vs tors. theta energy: -117.235
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: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1487.165383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.165383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.165383 (E_RNA)
where:
Base-Base interactions energy: -1046.565
where: short stacking energy: -417.989
Base-Backbone interact. energy: -3.539
local terms energy: -437.062013
where:
bonds (distance) C4'-P energy: -73.609
bonds (distance) P-C4' energy: -87.990
flat angles C4'-P-C4' energy: -98.540
flat angles P-C4'-P energy: -67.624
tors. eta vs tors. theta energy: -109.299
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: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1442.048480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.048480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.048480 (E_RNA)
where:
Base-Base interactions energy: -1030.189
where: short stacking energy: -406.036
Base-Backbone interact. energy: 6.036
local terms energy: -417.895452
where:
bonds (distance) C4'-P energy: -78.564
bonds (distance) P-C4' energy: -100.633
flat angles C4'-P-C4' energy: -92.934
flat angles P-C4'-P energy: -50.469
tors. eta vs tors. theta energy: -95.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1121.388553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.388553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.388553 (E_RNA)
where:
Base-Base interactions energy: -722.223
where: short stacking energy: -314.246
Base-Backbone interact. energy: -2.052
local terms energy: -397.113268
where:
bonds (distance) C4'-P energy: -72.829
bonds (distance) P-C4' energy: -92.793
flat angles C4'-P-C4' energy: -97.975
flat angles P-C4'-P energy: -62.832
tors. eta vs tors. theta energy: -70.684
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: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -699.340841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.340841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.340841 (E_RNA)
where:
Base-Base interactions energy: -381.608
where: short stacking energy: -183.147
Base-Backbone interact. energy: -4.353
local terms energy: -313.379768
where:
bonds (distance) C4'-P energy: -77.186
bonds (distance) P-C4' energy: -83.939
flat angles C4'-P-C4' energy: -78.753
flat angles P-C4'-P energy: -58.277
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -852.893435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.893435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.893435 (E_RNA)
where:
Base-Base interactions energy: -548.935
where: short stacking energy: -265.718
Base-Backbone interact. energy: -2.096
local terms energy: -301.862992
where:
bonds (distance) C4'-P energy: -77.734
bonds (distance) P-C4' energy: -75.477
flat angles C4'-P-C4' energy: -79.779
flat angles P-C4'-P energy: -33.867
tors. eta vs tors. theta energy: -35.006
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: 471
Temperature: 0.900000
Total energy: -1856.090333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.090333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.090333 (E_RNA)
where:
Base-Base interactions energy: -1303.336
where: short stacking energy: -532.800
Base-Backbone interact. energy: -2.986
local terms energy: -549.767771
where:
bonds (distance) C4'-P energy: -106.308
bonds (distance) P-C4' energy: -96.193
flat angles C4'-P-C4' energy: -114.072
flat angles P-C4'-P energy: -73.238
tors. eta vs tors. theta energy: -159.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1836.271365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.271365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.271365 (E_RNA)
where:
Base-Base interactions energy: -1298.153
where: short stacking energy: -507.118
Base-Backbone interact. energy: -2.321
local terms energy: -535.797487
where:
bonds (distance) C4'-P energy: -96.711
bonds (distance) P-C4' energy: -96.091
flat angles C4'-P-C4' energy: -116.597
flat angles P-C4'-P energy: -85.951
tors. eta vs tors. theta energy: -140.446
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: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1698.029293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.029293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.029293 (E_RNA)
where:
Base-Base interactions energy: -1177.343
where: short stacking energy: -483.624
Base-Backbone interact. energy: -1.697
local terms energy: -518.988927
where:
bonds (distance) C4'-P energy: -109.799
bonds (distance) P-C4' energy: -102.191
flat angles C4'-P-C4' energy: -107.169
flat angles P-C4'-P energy: -77.204
tors. eta vs tors. theta energy: -122.625
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: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1645.741986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.741986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.741986 (E_RNA)
where:
Base-Base interactions energy: -1174.325
where: short stacking energy: -478.857
Base-Backbone interact. energy: -1.555
local terms energy: -469.862486
where:
bonds (distance) C4'-P energy: -78.610
bonds (distance) P-C4' energy: -82.850
flat angles C4'-P-C4' energy: -109.195
flat angles P-C4'-P energy: -66.128
tors. eta vs tors. theta energy: -133.079
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: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1547.669316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.669316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.669316 (E_RNA)
where:
Base-Base interactions energy: -1099.215
where: short stacking energy: -443.698
Base-Backbone interact. energy: -5.114
local terms energy: -443.340219
where:
bonds (distance) C4'-P energy: -99.166
bonds (distance) P-C4' energy: -82.452
flat angles C4'-P-C4' energy: -98.701
flat angles P-C4'-P energy: -61.110
tors. eta vs tors. theta energy: -101.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1492.248459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.248459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.248459 (E_RNA)
where:
Base-Base interactions energy: -1032.360
where: short stacking energy: -406.295
Base-Backbone interact. energy: -2.282
local terms energy: -457.606535
where:
bonds (distance) C4'-P energy: -69.359
bonds (distance) P-C4' energy: -95.533
flat angles C4'-P-C4' energy: -103.755
flat angles P-C4'-P energy: -77.723
tors. eta vs tors. theta energy: -111.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1371.601470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.601470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.601470 (E_RNA)
where:
Base-Base interactions energy: -957.203
where: short stacking energy: -386.264
Base-Backbone interact. energy: -4.417
local terms energy: -409.981006
where:
bonds (distance) C4'-P energy: -84.375
bonds (distance) P-C4' energy: -76.772
flat angles C4'-P-C4' energy: -85.945
flat angles P-C4'-P energy: -72.549
tors. eta vs tors. theta energy: -90.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1137.002105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.002105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.002105 (E_RNA)
where:
Base-Base interactions energy: -770.022
where: short stacking energy: -362.515
Base-Backbone interact. energy: -1.639
local terms energy: -365.340795
where:
bonds (distance) C4'-P energy: -81.426
bonds (distance) P-C4' energy: -68.746
flat angles C4'-P-C4' energy: -101.594
flat angles P-C4'-P energy: -37.629
tors. eta vs tors. theta energy: -75.947
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: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -665.010755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.010755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.010755 (E_RNA)
where:
Base-Base interactions energy: -361.051
where: short stacking energy: -182.419
Base-Backbone interact. energy: -2.338
local terms energy: -301.622113
where:
bonds (distance) C4'-P energy: -83.875
bonds (distance) P-C4' energy: -78.566
flat angles C4'-P-C4' energy: -77.789
flat angles P-C4'-P energy: -48.758
tors. eta vs tors. theta energy: -12.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -903.887290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.887290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.887290 (E_RNA)
where:
Base-Base interactions energy: -566.466
where: short stacking energy: -279.787
Base-Backbone interact. energy: -1.848
local terms energy: -335.573186
where:
bonds (distance) C4'-P energy: -79.431
bonds (distance) P-C4' energy: -74.416
flat angles C4'-P-C4' energy: -84.440
flat angles P-C4'-P energy: -43.735
tors. eta vs tors. theta energy: -53.551
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: 1, replica: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1847.392582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.392582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.392582 (E_RNA)
where:
Base-Base interactions energy: -1294.162
where: short stacking energy: -523.530
Base-Backbone interact. energy: -7.026
local terms energy: -546.204488
where:
bonds (distance) C4'-P energy: -84.381
bonds (distance) P-C4' energy: -108.934
flat angles C4'-P-C4' energy: -121.888
flat angles P-C4'-P energy: -73.673
tors. eta vs tors. theta energy: -157.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1840.205439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.205439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.205439 (E_RNA)
where:
Base-Base interactions energy: -1299.472
where: short stacking energy: -515.031
Base-Backbone interact. energy: -1.427
local terms energy: -539.306177
where:
bonds (distance) C4'-P energy: -94.052
bonds (distance) P-C4' energy: -103.025
flat angles C4'-P-C4' energy: -117.072
flat angles P-C4'-P energy: -84.951
tors. eta vs tors. theta energy: -140.206
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: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1729.947509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.947509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.947509 (E_RNA)
where:
Base-Base interactions energy: -1200.400
where: short stacking energy: -493.435
Base-Backbone interact. energy: -4.021
local terms energy: -525.526947
where:
bonds (distance) C4'-P energy: -108.968
bonds (distance) P-C4' energy: -95.364
flat angles C4'-P-C4' energy: -101.043
flat angles P-C4'-P energy: -80.108
tors. eta vs tors. theta energy: -140.043
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: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1636.056418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.056418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.056418 (E_RNA)
where:
Base-Base interactions energy: -1151.748
where: short stacking energy: -449.739
Base-Backbone interact. energy: -1.399
local terms energy: -482.910097
where:
bonds (distance) C4'-P energy: -88.202
bonds (distance) P-C4' energy: -92.290
flat angles C4'-P-C4' energy: -110.745
flat angles P-C4'-P energy: -72.160
tors. eta vs tors. theta energy: -119.513
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: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1599.497314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.497314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.497314 (E_RNA)
where:
Base-Base interactions energy: -1141.184
where: short stacking energy: -436.492
Base-Backbone interact. energy: -4.448
local terms energy: -453.864796
where:
bonds (distance) C4'-P energy: -82.877
bonds (distance) P-C4' energy: -93.093
flat angles C4'-P-C4' energy: -104.824
flat angles P-C4'-P energy: -70.234
tors. eta vs tors. theta energy: -102.837
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: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1483.416083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.416083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.416083 (E_RNA)
where:
Base-Base interactions energy: -1026.010
where: short stacking energy: -440.968
Base-Backbone interact. energy: 1.690
local terms energy: -459.096378
where:
bonds (distance) C4'-P energy: -76.684
bonds (distance) P-C4' energy: -99.291
flat angles C4'-P-C4' energy: -110.647
flat angles P-C4'-P energy: -70.251
tors. eta vs tors. theta energy: -102.223
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: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1378.975016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.975016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.975016 (E_RNA)
where:
Base-Base interactions energy: -921.609
where: short stacking energy: -391.272
Base-Backbone interact. energy: -2.042
local terms energy: -455.323565
where:
bonds (distance) C4'-P energy: -90.790
bonds (distance) P-C4' energy: -94.514
flat angles C4'-P-C4' energy: -103.032
flat angles P-C4'-P energy: -68.853
tors. eta vs tors. theta energy: -98.135
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: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1147.295923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.295923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.295923 (E_RNA)
where:
Base-Base interactions energy: -771.271
where: short stacking energy: -309.753
Base-Backbone interact. energy: -0.391
local terms energy: -375.634321
where:
bonds (distance) C4'-P energy: -74.054
bonds (distance) P-C4' energy: -93.315
flat angles C4'-P-C4' energy: -87.162
flat angles P-C4'-P energy: -56.983
tors. eta vs tors. theta energy: -64.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -875.699605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.699605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.699605 (E_RNA)
where:
Base-Base interactions energy: -507.607
where: short stacking energy: -236.087
Base-Backbone interact. energy: 0.953
local terms energy: -369.045688
where:
bonds (distance) C4'-P energy: -85.699
bonds (distance) P-C4' energy: -92.027
flat angles C4'-P-C4' energy: -84.433
flat angles P-C4'-P energy: -66.904
tors. eta vs tors. theta energy: -39.982
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: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -631.859461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.859461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.859461 (E_RNA)
where:
Base-Base interactions energy: -336.518
where: short stacking energy: -143.001
Base-Backbone interact. energy: -1.300
local terms energy: -294.041850
where:
bonds (distance) C4'-P energy: -93.573
bonds (distance) P-C4' energy: -73.565
flat angles C4'-P-C4' energy: -80.233
flat angles P-C4'-P energy: -46.192
tors. eta vs tors. theta energy: -0.480
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: 473
Temperature: 0.900000
Total energy: -1841.131332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.131332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.131332 (E_RNA)
where:
Base-Base interactions energy: -1286.797
where: short stacking energy: -523.139
Base-Backbone interact. energy: -4.802
local terms energy: -549.532615
where:
bonds (distance) C4'-P energy: -98.747
bonds (distance) P-C4' energy: -103.390
flat angles C4'-P-C4' energy: -118.608
flat angles P-C4'-P energy: -74.687
tors. eta vs tors. theta energy: -154.101
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: 473
Temperature: 0.950000
Total energy: -1809.742530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.742530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.742530 (E_RNA)
where:
Base-Base interactions energy: -1297.332
where: short stacking energy: -504.701
Base-Backbone interact. energy: 3.464
local terms energy: -515.875060
where:
bonds (distance) C4'-P energy: -96.339
bonds (distance) P-C4' energy: -97.935
flat angles C4'-P-C4' energy: -111.062
flat angles P-C4'-P energy: -77.077
tors. eta vs tors. theta energy: -133.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1729.461938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.461938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.461938 (E_RNA)
where:
Base-Base interactions energy: -1204.033
where: short stacking energy: -490.241
Base-Backbone interact. energy: -0.596
local terms energy: -524.833511
where:
bonds (distance) C4'-P energy: -85.894
bonds (distance) P-C4' energy: -101.007
flat angles C4'-P-C4' energy: -123.858
flat angles P-C4'-P energy: -70.862
tors. eta vs tors. theta energy: -143.213
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: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1669.387835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.387835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.387835 (E_RNA)
where:
Base-Base interactions energy: -1179.667
where: short stacking energy: -482.805
Base-Backbone interact. energy: 1.140
local terms energy: -490.860648
where:
bonds (distance) C4'-P energy: -78.576
bonds (distance) P-C4' energy: -100.896
flat angles C4'-P-C4' energy: -110.895
flat angles P-C4'-P energy: -70.078
tors. eta vs tors. theta energy: -130.416
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: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1569.287226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.287226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.287226 (E_RNA)
where:
Base-Base interactions energy: -1089.759
where: short stacking energy: -425.712
Base-Backbone interact. energy: -1.679
local terms energy: -477.849765
where:
bonds (distance) C4'-P energy: -106.149
bonds (distance) P-C4' energy: -92.039
flat angles C4'-P-C4' energy: -101.100
flat angles P-C4'-P energy: -69.481
tors. eta vs tors. theta energy: -109.080
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: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1470.599349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.599349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.599349 (E_RNA)
where:
Base-Base interactions energy: -1022.412
where: short stacking energy: -437.435
Base-Backbone interact. energy: -1.885
local terms energy: -446.302249
where:
bonds (distance) C4'-P energy: -74.709
bonds (distance) P-C4' energy: -91.458
flat angles C4'-P-C4' energy: -108.206
flat angles P-C4'-P energy: -56.192
tors. eta vs tors. theta energy: -115.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1383.023937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.023937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.023937 (E_RNA)
where:
Base-Base interactions energy: -960.672
where: short stacking energy: -393.049
Base-Backbone interact. energy: -0.538
local terms energy: -421.814072
where:
bonds (distance) C4'-P energy: -88.574
bonds (distance) P-C4' energy: -96.278
flat angles C4'-P-C4' energy: -89.908
flat angles P-C4'-P energy: -64.089
tors. eta vs tors. theta energy: -82.964
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: 473
Temperature: 1.250000
Total energy: -1144.413398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.413398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.413398 (E_RNA)
where:
Base-Base interactions energy: -742.218
where: short stacking energy: -316.780
Base-Backbone interact. energy: -1.027
local terms energy: -401.168316
where:
bonds (distance) C4'-P energy: -92.088
bonds (distance) P-C4' energy: -88.570
flat angles C4'-P-C4' energy: -87.837
flat angles P-C4'-P energy: -62.152
tors. eta vs tors. theta energy: -70.522
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: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -939.532613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.532613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.532613 (E_RNA)
where:
Base-Base interactions energy: -594.706
where: short stacking energy: -264.289
Base-Backbone interact. energy: 0.684
local terms energy: -345.510203
where:
bonds (distance) C4'-P energy: -84.141
bonds (distance) P-C4' energy: -75.734
flat angles C4'-P-C4' energy: -93.190
flat angles P-C4'-P energy: -47.294
tors. eta vs tors. theta energy: -45.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -625.331333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.331333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.331333 (E_RNA)
where:
Base-Base interactions energy: -333.494
where: short stacking energy: -188.782
Base-Backbone interact. energy: -2.411
local terms energy: -289.426398
where:
bonds (distance) C4'-P energy: -78.644
bonds (distance) P-C4' energy: -78.156
flat angles C4'-P-C4' energy: -60.173
flat angles P-C4'-P energy: -66.745
tors. eta vs tors. theta energy: -5.709
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: 474
Temperature: 0.900000
Total energy: -1873.676650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.676650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.676650 (E_RNA)
where:
Base-Base interactions energy: -1340.817
where: short stacking energy: -526.357
Base-Backbone interact. energy: -1.846
local terms energy: -531.013067
where:
bonds (distance) C4'-P energy: -92.343
bonds (distance) P-C4' energy: -96.114
flat angles C4'-P-C4' energy: -121.503
flat angles P-C4'-P energy: -83.750
tors. eta vs tors. theta energy: -137.303
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: 6
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1800.962400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.962400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.962400 (E_RNA)
where:
Base-Base interactions energy: -1265.683
where: short stacking energy: -521.035
Base-Backbone interact. energy: -0.162
local terms energy: -535.116822
where:
bonds (distance) C4'-P energy: -97.952
bonds (distance) P-C4' energy: -99.719
flat angles C4'-P-C4' energy: -110.362
flat angles P-C4'-P energy: -78.174
tors. eta vs tors. theta energy: -148.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1713.044232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.044232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.044232 (E_RNA)
where:
Base-Base interactions energy: -1202.711
where: short stacking energy: -516.016
Base-Backbone interact. energy: -1.046
local terms energy: -509.286699
where:
bonds (distance) C4'-P energy: -81.100
bonds (distance) P-C4' energy: -105.430
flat angles C4'-P-C4' energy: -112.633
flat angles P-C4'-P energy: -72.625
tors. eta vs tors. theta energy: -137.499
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: 474
Temperature: 1.050000
Total energy: -1651.153130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.153130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.153130 (E_RNA)
where:
Base-Base interactions energy: -1171.538
where: short stacking energy: -485.776
Base-Backbone interact. energy: 1.199
local terms energy: -480.814112
where:
bonds (distance) C4'-P energy: -82.073
bonds (distance) P-C4' energy: -91.516
flat angles C4'-P-C4' energy: -109.663
flat angles P-C4'-P energy: -74.808
tors. eta vs tors. theta energy: -122.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1563.612390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.612390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.612390 (E_RNA)
where:
Base-Base interactions energy: -1096.248
where: short stacking energy: -461.787
Base-Backbone interact. energy: -0.677
local terms energy: -466.686856
where:
bonds (distance) C4'-P energy: -87.144
bonds (distance) P-C4' energy: -98.840
flat angles C4'-P-C4' energy: -103.677
flat angles P-C4'-P energy: -55.096
tors. eta vs tors. theta energy: -121.930
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: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1560.021129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.021129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.021129 (E_RNA)
where:
Base-Base interactions energy: -1096.361
where: short stacking energy: -436.876
Base-Backbone interact. energy: -2.202
local terms energy: -461.457697
where:
bonds (distance) C4'-P energy: -73.247
bonds (distance) P-C4' energy: -96.709
flat angles C4'-P-C4' energy: -104.262
flat angles P-C4'-P energy: -68.573
tors. eta vs tors. theta energy: -118.667
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: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1339.803713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.803713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.803713 (E_RNA)
where:
Base-Base interactions energy: -932.712
where: short stacking energy: -377.094
Base-Backbone interact. energy: -4.369
local terms energy: -402.722474
where:
bonds (distance) C4'-P energy: -88.760
bonds (distance) P-C4' energy: -91.718
flat angles C4'-P-C4' energy: -78.089
flat angles P-C4'-P energy: -59.452
tors. eta vs tors. theta energy: -84.704
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: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1153.648000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.648000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.648000 (E_RNA)
where:
Base-Base interactions energy: -761.628
where: short stacking energy: -323.432
Base-Backbone interact. energy: -0.086
local terms energy: -391.933673
where:
bonds (distance) C4'-P energy: -68.938
bonds (distance) P-C4' energy: -88.109
flat angles C4'-P-C4' energy: -99.616
flat angles P-C4'-P energy: -61.485
tors. eta vs tors. theta energy: -73.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -901.365725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.365725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.365725 (E_RNA)
where:
Base-Base interactions energy: -544.869
where: short stacking energy: -255.056
Base-Backbone interact. energy: -3.602
local terms energy: -352.894172
where:
bonds (distance) C4'-P energy: -81.270
bonds (distance) P-C4' energy: -92.837
flat angles C4'-P-C4' energy: -79.090
flat angles P-C4'-P energy: -49.933
tors. eta vs tors. theta energy: -49.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -561.663526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.663526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.663526 (E_RNA)
where:
Base-Base interactions energy: -299.329
where: short stacking energy: -168.156
Base-Backbone interact. energy: -3.110
local terms energy: -259.223901
where:
bonds (distance) C4'-P energy: -64.252
bonds (distance) P-C4' energy: -79.836
flat angles C4'-P-C4' energy: -74.440
flat angles P-C4'-P energy: -38.074
tors. eta vs tors. theta energy: -2.622
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: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1841.613471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.613471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.613471 (E_RNA)
where:
Base-Base interactions energy: -1329.538
where: short stacking energy: -486.278
Base-Backbone interact. energy: -5.012
local terms energy: -507.063673
where:
bonds (distance) C4'-P energy: -106.263
bonds (distance) P-C4' energy: -93.666
flat angles C4'-P-C4' energy: -105.546
flat angles P-C4'-P energy: -82.970
tors. eta vs tors. theta energy: -118.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1801.587191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.587191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.587191 (E_RNA)
where:
Base-Base interactions energy: -1274.357
where: short stacking energy: -540.141
Base-Backbone interact. energy: -5.455
local terms energy: -521.775509
where:
bonds (distance) C4'-P energy: -97.457
bonds (distance) P-C4' energy: -89.209
flat angles C4'-P-C4' energy: -116.415
flat angles P-C4'-P energy: -68.210
tors. eta vs tors. theta energy: -150.485
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: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1707.432233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.432233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.432233 (E_RNA)
where:
Base-Base interactions energy: -1195.130
where: short stacking energy: -485.608
Base-Backbone interact. energy: 0.564
local terms energy: -512.866831
where:
bonds (distance) C4'-P energy: -92.945
bonds (distance) P-C4' energy: -96.503
flat angles C4'-P-C4' energy: -112.661
flat angles P-C4'-P energy: -81.145
tors. eta vs tors. theta energy: -129.612
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: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1626.551807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.551807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.551807 (E_RNA)
where:
Base-Base interactions energy: -1141.265
where: short stacking energy: -454.268
Base-Backbone interact. energy: -1.730
local terms energy: -483.556758
where:
bonds (distance) C4'-P energy: -95.839
bonds (distance) P-C4' energy: -95.081
flat angles C4'-P-C4' energy: -110.371
flat angles P-C4'-P energy: -67.023
tors. eta vs tors. theta energy: -115.243
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: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1538.176004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.176004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.176004 (E_RNA)
where:
Base-Base interactions energy: -1069.618
where: short stacking energy: -435.671
Base-Backbone interact. energy: -1.398
local terms energy: -467.159365
where:
bonds (distance) C4'-P energy: -90.678
bonds (distance) P-C4' energy: -86.805
flat angles C4'-P-C4' energy: -102.594
flat angles P-C4'-P energy: -72.456
tors. eta vs tors. theta energy: -114.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1508.502522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.502522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.502522 (E_RNA)
where:
Base-Base interactions energy: -1066.774
where: short stacking energy: -440.390
Base-Backbone interact. energy: 2.735
local terms energy: -444.464075
where:
bonds (distance) C4'-P energy: -89.942
bonds (distance) P-C4' energy: -93.055
flat angles C4'-P-C4' energy: -95.428
flat angles P-C4'-P energy: -52.035
tors. eta vs tors. theta energy: -114.004
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: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1339.951861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.951861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.951861 (E_RNA)
where:
Base-Base interactions energy: -922.615
where: short stacking energy: -393.165
Base-Backbone interact. energy: -0.663
local terms energy: -416.674702
where:
bonds (distance) C4'-P energy: -83.340
bonds (distance) P-C4' energy: -104.484
flat angles C4'-P-C4' energy: -87.506
flat angles P-C4'-P energy: -52.223
tors. eta vs tors. theta energy: -89.122
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: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1133.716601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.716601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.716601 (E_RNA)
where:
Base-Base interactions energy: -767.083
where: short stacking energy: -333.862
Base-Backbone interact. energy: -1.640
local terms energy: -364.993617
where:
bonds (distance) C4'-P energy: -90.033
bonds (distance) P-C4' energy: -71.568
flat angles C4'-P-C4' energy: -87.385
flat angles P-C4'-P energy: -53.965
tors. eta vs tors. theta energy: -62.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -923.315821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.315821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.315821 (E_RNA)
where:
Base-Base interactions energy: -586.882
where: short stacking energy: -271.362
Base-Backbone interact. energy: 1.633
local terms energy: -338.066174
where:
bonds (distance) C4'-P energy: -77.751
bonds (distance) P-C4' energy: -83.703
flat angles C4'-P-C4' energy: -87.875
flat angles P-C4'-P energy: -45.071
tors. eta vs tors. theta energy: -43.665
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: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -647.255170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.255170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.255170 (E_RNA)
where:
Base-Base interactions energy: -326.862
where: short stacking energy: -169.391
Base-Backbone interact. energy: -0.230
local terms energy: -320.163481
where:
bonds (distance) C4'-P energy: -89.286
bonds (distance) P-C4' energy: -110.363
flat angles C4'-P-C4' energy: -92.626
flat angles P-C4'-P energy: -43.787
tors. eta vs tors. theta energy: 15.899
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: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1848.133055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.133055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.133055 (E_RNA)
where:
Base-Base interactions energy: -1300.443
where: short stacking energy: -505.057
Base-Backbone interact. energy: -4.151
local terms energy: -543.539174
where:
bonds (distance) C4'-P energy: -101.356
bonds (distance) P-C4' energy: -104.721
flat angles C4'-P-C4' energy: -128.245
flat angles P-C4'-P energy: -83.521
tors. eta vs tors. theta energy: -125.696
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: 2, replica: 6
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1792.812424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.812424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.812424 (E_RNA)
where:
Base-Base interactions energy: -1242.988
where: short stacking energy: -520.757
Base-Backbone interact. energy: -4.648
local terms energy: -545.176426
where:
bonds (distance) C4'-P energy: -97.352
bonds (distance) P-C4' energy: -101.268
flat angles C4'-P-C4' energy: -123.452
flat angles P-C4'-P energy: -78.678
tors. eta vs tors. theta energy: -144.427
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: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1658.161789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.161789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.161789 (E_RNA)
where:
Base-Base interactions energy: -1149.655
where: short stacking energy: -468.453
Base-Backbone interact. energy: -2.639
local terms energy: -505.868314
where:
bonds (distance) C4'-P energy: -90.960
bonds (distance) P-C4' energy: -110.296
flat angles C4'-P-C4' energy: -116.041
flat angles P-C4'-P energy: -53.733
tors. eta vs tors. theta energy: -134.840
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: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1649.477098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.477098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.477098 (E_RNA)
where:
Base-Base interactions energy: -1169.671
where: short stacking energy: -481.579
Base-Backbone interact. energy: -0.359
local terms energy: -479.447501
where:
bonds (distance) C4'-P energy: -89.856
bonds (distance) P-C4' energy: -98.861
flat angles C4'-P-C4' energy: -94.724
flat angles P-C4'-P energy: -71.047
tors. eta vs tors. theta energy: -124.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1541.032651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.032651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.032651 (E_RNA)
where:
Base-Base interactions energy: -1073.414
where: short stacking energy: -452.810
Base-Backbone interact. energy: -1.417
local terms energy: -466.201824
where:
bonds (distance) C4'-P energy: -81.482
bonds (distance) P-C4' energy: -91.179
flat angles C4'-P-C4' energy: -105.268
flat angles P-C4'-P energy: -71.902
tors. eta vs tors. theta energy: -116.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1512.385737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.385737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.385737 (E_RNA)
where:
Base-Base interactions energy: -1051.090
where: short stacking energy: -442.908
Base-Backbone interact. energy: -5.043
local terms energy: -456.252849
where:
bonds (distance) C4'-P energy: -86.324
bonds (distance) P-C4' energy: -93.486
flat angles C4'-P-C4' energy: -104.931
flat angles P-C4'-P energy: -56.463
tors. eta vs tors. theta energy: -115.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1365.387145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.387145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.387145 (E_RNA)
where:
Base-Base interactions energy: -934.028
where: short stacking energy: -378.527
Base-Backbone interact. energy: -1.598
local terms energy: -429.760883
where:
bonds (distance) C4'-P energy: -89.090
bonds (distance) P-C4' energy: -89.761
flat angles C4'-P-C4' energy: -100.748
flat angles P-C4'-P energy: -55.373
tors. eta vs tors. theta energy: -94.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1152.663538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.663538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.663538 (E_RNA)
where:
Base-Base interactions energy: -767.762
where: short stacking energy: -319.175
Base-Backbone interact. energy: -2.273
local terms energy: -382.628438
where:
bonds (distance) C4'-P energy: -77.529
bonds (distance) P-C4' energy: -93.631
flat angles C4'-P-C4' energy: -91.285
flat angles P-C4'-P energy: -48.419
tors. eta vs tors. theta energy: -71.764
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: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -915.297009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.297009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.297009 (E_RNA)
where:
Base-Base interactions energy: -584.009
where: short stacking energy: -260.457
Base-Backbone interact. energy: 0.896
local terms energy: -332.183955
where:
bonds (distance) C4'-P energy: -89.435
bonds (distance) P-C4' energy: -94.783
flat angles C4'-P-C4' energy: -84.606
flat angles P-C4'-P energy: -29.196
tors. eta vs tors. theta energy: -34.163
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: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -637.740261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.740261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.740261 (E_RNA)
where:
Base-Base interactions energy: -337.600
where: short stacking energy: -182.452
Base-Backbone interact. energy: 0.010
local terms energy: -300.149885
where:
bonds (distance) C4'-P energy: -73.037
bonds (distance) P-C4' energy: -100.250
flat angles C4'-P-C4' energy: -65.439
flat angles P-C4'-P energy: -54.096
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1833.596126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.596126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.596126 (E_RNA)
where:
Base-Base interactions energy: -1304.362
where: short stacking energy: -517.626
Base-Backbone interact. energy: -3.598
local terms energy: -525.635730
where:
bonds (distance) C4'-P energy: -105.474
bonds (distance) P-C4' energy: -109.449
flat angles C4'-P-C4' energy: -102.580
flat angles P-C4'-P energy: -74.036
tors. eta vs tors. theta energy: -134.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1808.954294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.954294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.954294 (E_RNA)
where:
Base-Base interactions energy: -1277.834
where: short stacking energy: -528.724
Base-Backbone interact. energy: -3.210
local terms energy: -527.909922
where:
bonds (distance) C4'-P energy: -91.918
bonds (distance) P-C4' energy: -102.533
flat angles C4'-P-C4' energy: -110.903
flat angles P-C4'-P energy: -72.580
tors. eta vs tors. theta energy: -149.976
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: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1702.706886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.706886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.706886 (E_RNA)
where:
Base-Base interactions energy: -1205.661
where: short stacking energy: -495.858
Base-Backbone interact. energy: -0.646
local terms energy: -496.399142
where:
bonds (distance) C4'-P energy: -101.364
bonds (distance) P-C4' energy: -89.929
flat angles C4'-P-C4' energy: -111.644
flat angles P-C4'-P energy: -63.077
tors. eta vs tors. theta energy: -130.386
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: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1647.417156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.417156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.417156 (E_RNA)
where:
Base-Base interactions energy: -1169.864
where: short stacking energy: -461.304
Base-Backbone interact. energy: -0.875
local terms energy: -476.678260
where:
bonds (distance) C4'-P energy: -94.730
bonds (distance) P-C4' energy: -95.022
flat angles C4'-P-C4' energy: -98.859
flat angles P-C4'-P energy: -63.385
tors. eta vs tors. theta energy: -124.682
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: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1540.509116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.509116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.509116 (E_RNA)
where:
Base-Base interactions energy: -1081.584
where: short stacking energy: -440.771
Base-Backbone interact. energy: -0.231
local terms energy: -458.693371
where:
bonds (distance) C4'-P energy: -86.273
bonds (distance) P-C4' energy: -89.476
flat angles C4'-P-C4' energy: -111.321
flat angles P-C4'-P energy: -58.587
tors. eta vs tors. theta energy: -113.037
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: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1485.965008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.965008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.965008 (E_RNA)
where:
Base-Base interactions energy: -1031.622
where: short stacking energy: -439.286
Base-Backbone interact. energy: -1.581
local terms energy: -452.762126
where:
bonds (distance) C4'-P energy: -89.706
bonds (distance) P-C4' energy: -93.006
flat angles C4'-P-C4' energy: -95.051
flat angles P-C4'-P energy: -57.419
tors. eta vs tors. theta energy: -117.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1367.638211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.638211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.638211 (E_RNA)
where:
Base-Base interactions energy: -952.342
where: short stacking energy: -392.702
Base-Backbone interact. energy: -1.719
local terms energy: -413.577028
where:
bonds (distance) C4'-P energy: -75.941
bonds (distance) P-C4' energy: -83.456
flat angles C4'-P-C4' energy: -105.240
flat angles P-C4'-P energy: -54.002
tors. eta vs tors. theta energy: -94.938
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: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1166.491376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.491376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.491376 (E_RNA)
where:
Base-Base interactions energy: -783.855
where: short stacking energy: -351.523
Base-Backbone interact. energy: -1.244
local terms energy: -381.392326
where:
bonds (distance) C4'-P energy: -69.327
bonds (distance) P-C4' energy: -89.769
flat angles C4'-P-C4' energy: -102.433
flat angles P-C4'-P energy: -48.930
tors. eta vs tors. theta energy: -70.933
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: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -891.056740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.056740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.056740 (E_RNA)
where:
Base-Base interactions energy: -542.109
where: short stacking energy: -238.189
Base-Backbone interact. energy: 2.093
local terms energy: -351.041195
where:
bonds (distance) C4'-P energy: -89.418
bonds (distance) P-C4' energy: -87.532
flat angles C4'-P-C4' energy: -83.368
flat angles P-C4'-P energy: -53.967
tors. eta vs tors. theta energy: -36.756
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: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -600.330080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.330080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.330080 (E_RNA)
where:
Base-Base interactions energy: -331.265
where: short stacking energy: -159.586
Base-Backbone interact. energy: -1.493
local terms energy: -267.572721
where:
bonds (distance) C4'-P energy: -78.697
bonds (distance) P-C4' energy: -81.281
flat angles C4'-P-C4' energy: -71.028
flat angles P-C4'-P energy: -46.867
tors. eta vs tors. theta energy: 10.302
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: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1868.234983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.234983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.234983 (E_RNA)
where:
Base-Base interactions energy: -1332.468
where: short stacking energy: -533.643
Base-Backbone interact. energy: -3.245
local terms energy: -532.521315
where:
bonds (distance) C4'-P energy: -96.380
bonds (distance) P-C4' energy: -113.856
flat angles C4'-P-C4' energy: -107.385
flat angles P-C4'-P energy: -77.798
tors. eta vs tors. theta energy: -137.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1781.919884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.919884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.919884 (E_RNA)
where:
Base-Base interactions energy: -1241.992
where: short stacking energy: -502.715
Base-Backbone interact. energy: -3.948
local terms energy: -535.979744
where:
bonds (distance) C4'-P energy: -99.003
bonds (distance) P-C4' energy: -108.754
flat angles C4'-P-C4' energy: -106.125
flat angles P-C4'-P energy: -71.602
tors. eta vs tors. theta energy: -150.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1718.657826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.657826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.657826 (E_RNA)
where:
Base-Base interactions energy: -1220.070
where: short stacking energy: -508.643
Base-Backbone interact. energy: 0.695
local terms energy: -499.282455
where:
bonds (distance) C4'-P energy: -93.645
bonds (distance) P-C4' energy: -101.736
flat angles C4'-P-C4' energy: -104.956
flat angles P-C4'-P energy: -63.875
tors. eta vs tors. theta energy: -135.070
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: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1617.209484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.209484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.209484 (E_RNA)
where:
Base-Base interactions energy: -1146.934
where: short stacking energy: -444.533
Base-Backbone interact. energy: 0.907
local terms energy: -471.182857
where:
bonds (distance) C4'-P energy: -98.383
bonds (distance) P-C4' energy: -92.741
flat angles C4'-P-C4' energy: -99.772
flat angles P-C4'-P energy: -65.451
tors. eta vs tors. theta energy: -114.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1601.780183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.780183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.780183 (E_RNA)
where:
Base-Base interactions energy: -1102.762
where: short stacking energy: -459.250
Base-Backbone interact. energy: -0.022
local terms energy: -498.995859
where:
bonds (distance) C4'-P energy: -81.955
bonds (distance) P-C4' energy: -110.621
flat angles C4'-P-C4' energy: -108.203
flat angles P-C4'-P energy: -70.506
tors. eta vs tors. theta energy: -127.711
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: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1460.077687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.077687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.077687 (E_RNA)
where:
Base-Base interactions energy: -1002.324
where: short stacking energy: -413.415
Base-Backbone interact. energy: -0.200
local terms energy: -457.553597
where:
bonds (distance) C4'-P energy: -92.046
bonds (distance) P-C4' energy: -87.253
flat angles C4'-P-C4' energy: -99.603
flat angles P-C4'-P energy: -78.100
tors. eta vs tors. theta energy: -100.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1428.576692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.576692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.576692 (E_RNA)
where:
Base-Base interactions energy: -978.168
where: short stacking energy: -424.128
Base-Backbone interact. energy: -1.230
local terms energy: -449.178928
where:
bonds (distance) C4'-P energy: -88.412
bonds (distance) P-C4' energy: -98.080
flat angles C4'-P-C4' energy: -109.628
flat angles P-C4'-P energy: -50.081
tors. eta vs tors. theta energy: -102.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1125.775400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.775400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.775400 (E_RNA)
where:
Base-Base interactions energy: -737.447
where: short stacking energy: -309.375
Base-Backbone interact. energy: -1.359
local terms energy: -386.969297
where:
bonds (distance) C4'-P energy: -85.336
bonds (distance) P-C4' energy: -79.884
flat angles C4'-P-C4' energy: -89.433
flat angles P-C4'-P energy: -59.004
tors. eta vs tors. theta energy: -73.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -882.100012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.100012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.100012 (E_RNA)
where:
Base-Base interactions energy: -535.009
where: short stacking energy: -228.423
Base-Backbone interact. energy: 1.302
local terms energy: -348.392797
where:
bonds (distance) C4'-P energy: -73.642
bonds (distance) P-C4' energy: -93.874
flat angles C4'-P-C4' energy: -93.130
flat angles P-C4'-P energy: -52.834
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: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -677.393058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.393058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.393058 (E_RNA)
where:
Base-Base interactions energy: -352.859
where: short stacking energy: -185.113
Base-Backbone interact. energy: 4.464
local terms energy: -328.997837
where:
bonds (distance) C4'-P energy: -70.430
bonds (distance) P-C4' energy: -104.981
flat angles C4'-P-C4' energy: -82.955
flat angles P-C4'-P energy: -61.359
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1866.433936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.433936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.433936 (E_RNA)
where:
Base-Base interactions energy: -1342.857
where: short stacking energy: -521.449
Base-Backbone interact. energy: -1.731
local terms energy: -521.845598
where:
bonds (distance) C4'-P energy: -104.982
bonds (distance) P-C4' energy: -91.142
flat angles C4'-P-C4' energy: -122.468
flat angles P-C4'-P energy: -66.900
tors. eta vs tors. theta energy: -136.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1801.611187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.611187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.611187 (E_RNA)
where:
Base-Base interactions energy: -1267.495
where: short stacking energy: -508.070
Base-Backbone interact. energy: -4.325
local terms energy: -529.790948
where:
bonds (distance) C4'-P energy: -101.026
bonds (distance) P-C4' energy: -96.227
flat angles C4'-P-C4' energy: -107.494
flat angles P-C4'-P energy: -72.255
tors. eta vs tors. theta energy: -152.788
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: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1638.824280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.824280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.824280 (E_RNA)
where:
Base-Base interactions energy: -1132.227
where: short stacking energy: -469.528
Base-Backbone interact. energy: -0.072
local terms energy: -506.524824
where:
bonds (distance) C4'-P energy: -94.247
bonds (distance) P-C4' energy: -106.262
flat angles C4'-P-C4' energy: -113.485
flat angles P-C4'-P energy: -76.094
tors. eta vs tors. theta energy: -116.437
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: 479
Temperature: 1.050000
Total energy: -1666.522261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.522261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.522261 (E_RNA)
where:
Base-Base interactions energy: -1179.426
where: short stacking energy: -454.801
Base-Backbone interact. energy: 0.568
local terms energy: -487.664439
where:
bonds (distance) C4'-P energy: -93.983
bonds (distance) P-C4' energy: -92.864
flat angles C4'-P-C4' energy: -119.333
flat angles P-C4'-P energy: -62.297
tors. eta vs tors. theta energy: -119.187
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: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1542.740627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.740627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.740627 (E_RNA)
where:
Base-Base interactions energy: -1056.721
where: short stacking energy: -425.862
Base-Backbone interact. energy: -2.688
local terms energy: -483.331729
where:
bonds (distance) C4'-P energy: -91.107
bonds (distance) P-C4' energy: -96.278
flat angles C4'-P-C4' energy: -105.301
flat angles P-C4'-P energy: -71.580
tors. eta vs tors. theta energy: -119.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1504.638280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.638280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.638280 (E_RNA)
where:
Base-Base interactions energy: -1069.423
where: short stacking energy: -441.792
Base-Backbone interact. energy: -1.387
local terms energy: -433.829209
where:
bonds (distance) C4'-P energy: -84.410
bonds (distance) P-C4' energy: -63.643
flat angles C4'-P-C4' energy: -102.480
flat angles P-C4'-P energy: -70.224
tors. eta vs tors. theta energy: -113.073
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: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1366.814401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.814401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.814401 (E_RNA)
where:
Base-Base interactions energy: -945.658
where: short stacking energy: -386.600
Base-Backbone interact. energy: -0.146
local terms energy: -421.010571
where:
bonds (distance) C4'-P energy: -75.875
bonds (distance) P-C4' energy: -76.419
flat angles C4'-P-C4' energy: -101.206
flat angles P-C4'-P energy: -62.417
tors. eta vs tors. theta energy: -105.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1166.723998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.723998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.723998 (E_RNA)
where:
Base-Base interactions energy: -754.575
where: short stacking energy: -316.650
Base-Backbone interact. energy: -1.811
local terms energy: -410.337853
where:
bonds (distance) C4'-P energy: -102.463
bonds (distance) P-C4' energy: -95.574
flat angles C4'-P-C4' energy: -87.219
flat angles P-C4'-P energy: -49.520
tors. eta vs tors. theta energy: -75.562
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: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -900.655796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.655796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.655796 (E_RNA)
where:
Base-Base interactions energy: -576.204
where: short stacking energy: -238.916
Base-Backbone interact. energy: -0.135
local terms energy: -324.316379
where:
bonds (distance) C4'-P energy: -73.201
bonds (distance) P-C4' energy: -98.620
flat angles C4'-P-C4' energy: -78.239
flat angles P-C4'-P energy: -38.835
tors. eta vs tors. theta energy: -35.421
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: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -594.518730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.518730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.518730 (E_RNA)
where:
Base-Base interactions energy: -310.156
where: short stacking energy: -185.156
Base-Backbone interact. energy: -2.011
local terms energy: -282.351407
where:
bonds (distance) C4'-P energy: -53.994
bonds (distance) P-C4' energy: -89.721
flat angles C4'-P-C4' energy: -69.966
flat angles P-C4'-P energy: -46.059
tors. eta vs tors. theta energy: -22.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1875.651313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.651313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.651313 (E_RNA)
where:
Base-Base interactions energy: -1317.748
where: short stacking energy: -530.129
Base-Backbone interact. energy: -2.940
local terms energy: -554.963935
where:
bonds (distance) C4'-P energy: -103.332
bonds (distance) P-C4' energy: -104.667
flat angles C4'-P-C4' energy: -123.304
flat angles P-C4'-P energy: -75.562
tors. eta vs tors. theta energy: -148.098
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: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1802.287507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.287507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.287507 (E_RNA)
where:
Base-Base interactions energy: -1270.159
where: short stacking energy: -521.486
Base-Backbone interact. energy: -6.489
local terms energy: -525.640168
where:
bonds (distance) C4'-P energy: -101.964
bonds (distance) P-C4' energy: -87.828
flat angles C4'-P-C4' energy: -102.377
flat angles P-C4'-P energy: -74.022
tors. eta vs tors. theta energy: -159.449
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: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1636.599590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.599590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.599590 (E_RNA)
where:
Base-Base interactions energy: -1152.121
where: short stacking energy: -460.782
Base-Backbone interact. energy: -0.901
local terms energy: -483.576830
where:
bonds (distance) C4'-P energy: -95.099
bonds (distance) P-C4' energy: -78.122
flat angles C4'-P-C4' energy: -113.484
flat angles P-C4'-P energy: -77.135
tors. eta vs tors. theta energy: -119.737
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: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1629.413896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.413896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.413896 (E_RNA)
where:
Base-Base interactions energy: -1165.897
where: short stacking energy: -467.555
Base-Backbone interact. energy: 0.583
local terms energy: -464.100096
where:
bonds (distance) C4'-P energy: -83.645
bonds (distance) P-C4' energy: -92.012
flat angles C4'-P-C4' energy: -106.706
flat angles P-C4'-P energy: -67.242
tors. eta vs tors. theta energy: -114.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1547.308677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.308677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.308677 (E_RNA)
where:
Base-Base interactions energy: -1083.435
where: short stacking energy: -445.640
Base-Backbone interact. energy: -4.129
local terms energy: -459.744988
where:
bonds (distance) C4'-P energy: -86.906
bonds (distance) P-C4' energy: -88.075
flat angles C4'-P-C4' energy: -104.473
flat angles P-C4'-P energy: -61.565
tors. eta vs tors. theta energy: -118.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1506.755802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.755802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.755802 (E_RNA)
where:
Base-Base interactions energy: -1062.979
where: short stacking energy: -436.729
Base-Backbone interact. energy: -0.350
local terms energy: -443.427174
where:
bonds (distance) C4'-P energy: -85.693
bonds (distance) P-C4' energy: -95.780
flat angles C4'-P-C4' energy: -88.497
flat angles P-C4'-P energy: -69.215
tors. eta vs tors. theta energy: -104.242
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: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1338.280608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.280608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.280608 (E_RNA)
where:
Base-Base interactions energy: -893.140
where: short stacking energy: -384.825
Base-Backbone interact. energy: -1.342
local terms energy: -443.798400
where:
bonds (distance) C4'-P energy: -84.857
bonds (distance) P-C4' energy: -96.411
flat angles C4'-P-C4' energy: -97.969
flat angles P-C4'-P energy: -66.961
tors. eta vs tors. theta energy: -97.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1159.169331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.169331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.169331 (E_RNA)
where:
Base-Base interactions energy: -762.574
where: short stacking energy: -323.782
Base-Backbone interact. energy: 1.305
local terms energy: -397.901166
where:
bonds (distance) C4'-P energy: -87.081
bonds (distance) P-C4' energy: -68.389
flat angles C4'-P-C4' energy: -102.753
flat angles P-C4'-P energy: -64.470
tors. eta vs tors. theta energy: -75.208
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: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -925.369947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.369947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.369947 (E_RNA)
where:
Base-Base interactions energy: -577.490
where: short stacking energy: -259.866
Base-Backbone interact. energy: -0.259
local terms energy: -347.620830
where:
bonds (distance) C4'-P energy: -79.392
bonds (distance) P-C4' energy: -102.262
flat angles C4'-P-C4' energy: -89.809
flat angles P-C4'-P energy: -37.135
tors. eta vs tors. theta energy: -39.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -549.473742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.473742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.473742 (E_RNA)
where:
Base-Base interactions energy: -287.259
where: short stacking energy: -167.883
Base-Backbone interact. energy: -2.882
local terms energy: -259.332542
where:
bonds (distance) C4'-P energy: -71.869
bonds (distance) P-C4' energy: -72.815
flat angles C4'-P-C4' energy: -81.810
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: 0.907
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: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1851.837612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.837612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.837612 (E_RNA)
where:
Base-Base interactions energy: -1311.744
where: short stacking energy: -524.856
Base-Backbone interact. energy: -3.710
local terms energy: -536.383811
where:
bonds (distance) C4'-P energy: -111.620
bonds (distance) P-C4' energy: -98.451
flat angles C4'-P-C4' energy: -115.998
flat angles P-C4'-P energy: -65.564
tors. eta vs tors. theta energy: -144.751
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: 2, replica: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1797.214154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.214154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.214154 (E_RNA)
where:
Base-Base interactions energy: -1267.647
where: short stacking energy: -495.903
Base-Backbone interact. energy: -2.340
local terms energy: -527.227249
where:
bonds (distance) C4'-P energy: -87.745
bonds (distance) P-C4' energy: -101.778
flat angles C4'-P-C4' energy: -112.044
flat angles P-C4'-P energy: -70.690
tors. eta vs tors. theta energy: -154.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1638.296514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.296514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.296514 (E_RNA)
where:
Base-Base interactions energy: -1154.813
where: short stacking energy: -475.362
Base-Backbone interact. energy: 0.497
local terms energy: -483.980255
where:
bonds (distance) C4'-P energy: -93.281
bonds (distance) P-C4' energy: -96.805
flat angles C4'-P-C4' energy: -94.349
flat angles P-C4'-P energy: -76.846
tors. eta vs tors. theta energy: -122.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1627.148917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.148917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.148917 (E_RNA)
where:
Base-Base interactions energy: -1158.515
where: short stacking energy: -475.964
Base-Backbone interact. energy: -2.273
local terms energy: -466.360809
where:
bonds (distance) C4'-P energy: -76.028
bonds (distance) P-C4' energy: -80.277
flat angles C4'-P-C4' energy: -112.705
flat angles P-C4'-P energy: -71.536
tors. eta vs tors. theta energy: -125.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1554.290323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.290323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.290323 (E_RNA)
where:
Base-Base interactions energy: -1070.582
where: short stacking energy: -434.612
Base-Backbone interact. energy: 1.746
local terms energy: -485.454199
where:
bonds (distance) C4'-P energy: -95.281
bonds (distance) P-C4' energy: -104.317
flat angles C4'-P-C4' energy: -104.706
flat angles P-C4'-P energy: -69.995
tors. eta vs tors. theta energy: -111.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1509.361876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.361876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.361876 (E_RNA)
where:
Base-Base interactions energy: -1078.829
where: short stacking energy: -442.475
Base-Backbone interact. energy: -2.322
local terms energy: -428.210748
where:
bonds (distance) C4'-P energy: -86.841
bonds (distance) P-C4' energy: -72.451
flat angles C4'-P-C4' energy: -99.209
flat angles P-C4'-P energy: -59.298
tors. eta vs tors. theta energy: -110.412
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: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1343.238047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.238047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.238047 (E_RNA)
where:
Base-Base interactions energy: -920.417
where: short stacking energy: -392.941
Base-Backbone interact. energy: 1.418
local terms energy: -424.239760
where:
bonds (distance) C4'-P energy: -78.248
bonds (distance) P-C4' energy: -104.312
flat angles C4'-P-C4' energy: -90.100
flat angles P-C4'-P energy: -56.984
tors. eta vs tors. theta energy: -94.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1146.049171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.049171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.049171 (E_RNA)
where:
Base-Base interactions energy: -767.635
where: short stacking energy: -328.774
Base-Backbone interact. energy: -1.011
local terms energy: -377.403602
where:
bonds (distance) C4'-P energy: -88.926
bonds (distance) P-C4' energy: -97.627
flat angles C4'-P-C4' energy: -80.133
flat angles P-C4'-P energy: -45.023
tors. eta vs tors. theta energy: -65.695
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: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -911.630016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.630016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.630016 (E_RNA)
where:
Base-Base interactions energy: -565.966
where: short stacking energy: -256.676
Base-Backbone interact. energy: -1.143
local terms energy: -344.520730
where:
bonds (distance) C4'-P energy: -82.877
bonds (distance) P-C4' energy: -85.271
flat angles C4'-P-C4' energy: -91.274
flat angles P-C4'-P energy: -47.026
tors. eta vs tors. theta energy: -38.072
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: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -587.738337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.738337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.738337 (E_RNA)
where:
Base-Base interactions energy: -319.743
where: short stacking energy: -184.406
Base-Backbone interact. energy: 0.093
local terms energy: -268.088189
where:
bonds (distance) C4'-P energy: -64.148
bonds (distance) P-C4' energy: -66.503
flat angles C4'-P-C4' energy: -87.840
flat angles P-C4'-P energy: -40.185
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1838.084989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.084989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.084989 (E_RNA)
where:
Base-Base interactions energy: -1292.851
where: short stacking energy: -514.762
Base-Backbone interact. energy: -5.075
local terms energy: -540.159394
where:
bonds (distance) C4'-P energy: -112.450
bonds (distance) P-C4' energy: -91.731
flat angles C4'-P-C4' energy: -111.371
flat angles P-C4'-P energy: -71.302
tors. eta vs tors. theta energy: -153.305
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: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1810.468028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.468028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.468028 (E_RNA)
where:
Base-Base interactions energy: -1293.908
where: short stacking energy: -489.257
Base-Backbone interact. energy: 0.464
local terms energy: -517.024550
where:
bonds (distance) C4'-P energy: -91.843
bonds (distance) P-C4' energy: -100.223
flat angles C4'-P-C4' energy: -109.496
flat angles P-C4'-P energy: -78.761
tors. eta vs tors. theta energy: -136.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1649.598568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.598568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.598568 (E_RNA)
where:
Base-Base interactions energy: -1167.686
where: short stacking energy: -476.920
Base-Backbone interact. energy: 1.150
local terms energy: -483.061911
where:
bonds (distance) C4'-P energy: -85.704
bonds (distance) P-C4' energy: -104.985
flat angles C4'-P-C4' energy: -111.649
flat angles P-C4'-P energy: -63.151
tors. eta vs tors. theta energy: -117.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1610.536725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.536725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.536725 (E_RNA)
where:
Base-Base interactions energy: -1112.736
where: short stacking energy: -463.706
Base-Backbone interact. energy: -1.245
local terms energy: -496.556047
where:
bonds (distance) C4'-P energy: -100.890
bonds (distance) P-C4' energy: -100.043
flat angles C4'-P-C4' energy: -105.597
flat angles P-C4'-P energy: -66.318
tors. eta vs tors. theta energy: -123.708
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: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1536.972397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.972397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.972397 (E_RNA)
where:
Base-Base interactions energy: -1082.030
where: short stacking energy: -428.245
Base-Backbone interact. energy: -4.060
local terms energy: -450.882436
where:
bonds (distance) C4'-P energy: -92.626
bonds (distance) P-C4' energy: -88.056
flat angles C4'-P-C4' energy: -100.201
flat angles P-C4'-P energy: -58.840
tors. eta vs tors. theta energy: -111.160
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: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1533.727877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.727877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.727877 (E_RNA)
where:
Base-Base interactions energy: -1079.346
where: short stacking energy: -434.658
Base-Backbone interact. energy: -1.038
local terms energy: -453.344172
where:
bonds (distance) C4'-P energy: -89.601
bonds (distance) P-C4' energy: -86.643
flat angles C4'-P-C4' energy: -102.840
flat angles P-C4'-P energy: -66.786
tors. eta vs tors. theta energy: -107.474
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: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1379.529252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.529252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.529252 (E_RNA)
where:
Base-Base interactions energy: -953.590
where: short stacking energy: -393.417
Base-Backbone interact. energy: -0.200
local terms energy: -425.739715
where:
bonds (distance) C4'-P energy: -84.815
bonds (distance) P-C4' energy: -76.590
flat angles C4'-P-C4' energy: -91.542
flat angles P-C4'-P energy: -66.464
tors. eta vs tors. theta energy: -106.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1152.204390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.204390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.204390 (E_RNA)
where:
Base-Base interactions energy: -767.208
where: short stacking energy: -335.950
Base-Backbone interact. energy: 0.280
local terms energy: -385.276497
where:
bonds (distance) C4'-P energy: -86.191
bonds (distance) P-C4' energy: -91.517
flat angles C4'-P-C4' energy: -82.517
flat angles P-C4'-P energy: -59.676
tors. eta vs tors. theta energy: -65.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -907.711310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.711310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.711310 (E_RNA)
where:
Base-Base interactions energy: -545.414
where: short stacking energy: -247.938
Base-Backbone interact. energy: -0.857
local terms energy: -361.440291
where:
bonds (distance) C4'-P energy: -80.199
bonds (distance) P-C4' energy: -96.389
flat angles C4'-P-C4' energy: -84.184
flat angles P-C4'-P energy: -51.752
tors. eta vs tors. theta energy: -48.916
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: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -690.332128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.332128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.332128 (E_RNA)
where:
Base-Base interactions energy: -382.362
where: short stacking energy: -202.162
Base-Backbone interact. energy: -2.423
local terms energy: -305.546998
where:
bonds (distance) C4'-P energy: -73.678
bonds (distance) P-C4' energy: -96.071
flat angles C4'-P-C4' energy: -72.668
flat angles P-C4'-P energy: -37.719
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1831.209378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.209378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.209378 (E_RNA)
where:
Base-Base interactions energy: -1260.021
where: short stacking energy: -501.861
Base-Backbone interact. energy: -4.732
local terms energy: -566.456530
where:
bonds (distance) C4'-P energy: -100.394
bonds (distance) P-C4' energy: -115.234
flat angles C4'-P-C4' energy: -120.015
flat angles P-C4'-P energy: -81.007
tors. eta vs tors. theta energy: -149.806
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: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1794.346161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.346161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.346161 (E_RNA)
where:
Base-Base interactions energy: -1261.301
where: short stacking energy: -499.417
Base-Backbone interact. energy: -1.407
local terms energy: -531.637737
where:
bonds (distance) C4'-P energy: -100.394
bonds (distance) P-C4' energy: -111.136
flat angles C4'-P-C4' energy: -111.757
flat angles P-C4'-P energy: -77.875
tors. eta vs tors. theta energy: -130.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1666.851527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.851527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.851527 (E_RNA)
where:
Base-Base interactions energy: -1146.227
where: short stacking energy: -486.170
Base-Backbone interact. energy: -0.920
local terms energy: -519.705154
where:
bonds (distance) C4'-P energy: -99.810
bonds (distance) P-C4' energy: -110.313
flat angles C4'-P-C4' energy: -105.633
flat angles P-C4'-P energy: -67.888
tors. eta vs tors. theta energy: -136.061
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: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1601.023276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.023276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.023276 (E_RNA)
where:
Base-Base interactions energy: -1108.887
where: short stacking energy: -454.929
Base-Backbone interact. energy: -0.731
local terms energy: -491.406060
where:
bonds (distance) C4'-P energy: -105.016
bonds (distance) P-C4' energy: -105.530
flat angles C4'-P-C4' energy: -101.076
flat angles P-C4'-P energy: -65.035
tors. eta vs tors. theta energy: -114.749
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: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1518.720330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.720330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.720330 (E_RNA)
where:
Base-Base interactions energy: -1052.389
where: short stacking energy: -431.117
Base-Backbone interact. energy: 1.480
local terms energy: -467.811258
where:
bonds (distance) C4'-P energy: -91.814
bonds (distance) P-C4' energy: -99.596
flat angles C4'-P-C4' energy: -106.607
flat angles P-C4'-P energy: -61.556
tors. eta vs tors. theta energy: -108.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1519.805282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.805282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.805282 (E_RNA)
where:
Base-Base interactions energy: -1079.596
where: short stacking energy: -453.693
Base-Backbone interact. energy: -4.521
local terms energy: -435.688212
where:
bonds (distance) C4'-P energy: -81.868
bonds (distance) P-C4' energy: -73.994
flat angles C4'-P-C4' energy: -97.070
flat angles P-C4'-P energy: -71.646
tors. eta vs tors. theta energy: -111.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1389.890690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.890690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.890690 (E_RNA)
where:
Base-Base interactions energy: -929.092
where: short stacking energy: -397.299
Base-Backbone interact. energy: 2.387
local terms energy: -463.185189
where:
bonds (distance) C4'-P energy: -93.011
bonds (distance) P-C4' energy: -105.470
flat angles C4'-P-C4' energy: -94.960
flat angles P-C4'-P energy: -62.642
tors. eta vs tors. theta energy: -107.102
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: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1163.086519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.086519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.086519 (E_RNA)
where:
Base-Base interactions energy: -797.254
where: short stacking energy: -350.316
Base-Backbone interact. energy: -1.955
local terms energy: -363.877537
where:
bonds (distance) C4'-P energy: -73.228
bonds (distance) P-C4' energy: -78.496
flat angles C4'-P-C4' energy: -89.536
flat angles P-C4'-P energy: -55.835
tors. eta vs tors. theta energy: -66.782
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: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -957.282412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.282412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.282412 (E_RNA)
where:
Base-Base interactions energy: -597.773
where: short stacking energy: -265.414
Base-Backbone interact. energy: -1.029
local terms energy: -358.480178
where:
bonds (distance) C4'-P energy: -81.992
bonds (distance) P-C4' energy: -73.842
flat angles C4'-P-C4' energy: -89.365
flat angles P-C4'-P energy: -53.803
tors. eta vs tors. theta energy: -59.477
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: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -638.561713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.561713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.561713 (E_RNA)
where:
Base-Base interactions energy: -345.558
where: short stacking energy: -198.589
Base-Backbone interact. energy: 1.708
local terms energy: -294.710933
where:
bonds (distance) C4'-P energy: -71.091
bonds (distance) P-C4' energy: -92.245
flat angles C4'-P-C4' energy: -69.958
flat angles P-C4'-P energy: -38.554
tors. eta vs tors. theta energy: -22.863
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: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1842.178464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.178464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.178464 (E_RNA)
where:
Base-Base interactions energy: -1278.480
where: short stacking energy: -541.557
Base-Backbone interact. energy: -2.515
local terms energy: -561.183265
where:
bonds (distance) C4'-P energy: -112.545
bonds (distance) P-C4' energy: -104.904
flat angles C4'-P-C4' energy: -116.311
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -146.575
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: 484
Temperature: 0.950000
Total energy: -1803.643197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.643197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.643197 (E_RNA)
where:
Base-Base interactions energy: -1270.457
where: short stacking energy: -498.696
Base-Backbone interact. energy: -3.468
local terms energy: -529.718779
where:
bonds (distance) C4'-P energy: -100.138
bonds (distance) P-C4' energy: -95.122
flat angles C4'-P-C4' energy: -113.234
flat angles P-C4'-P energy: -78.938
tors. eta vs tors. theta energy: -142.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1689.483701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.483701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.483701 (E_RNA)
where:
Base-Base interactions energy: -1171.921
where: short stacking energy: -494.041
Base-Backbone interact. energy: -2.081
local terms energy: -515.481736
where:
bonds (distance) C4'-P energy: -98.399
bonds (distance) P-C4' energy: -106.448
flat angles C4'-P-C4' energy: -106.317
flat angles P-C4'-P energy: -70.376
tors. eta vs tors. theta energy: -133.940
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: 484
Temperature: 1.050000
Total energy: -1593.701468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.701468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.701468 (E_RNA)
where:
Base-Base interactions energy: -1104.922
where: short stacking energy: -448.653
Base-Backbone interact. energy: -3.061
local terms energy: -485.718319
where:
bonds (distance) C4'-P energy: -95.234
bonds (distance) P-C4' energy: -100.333
flat angles C4'-P-C4' energy: -107.175
flat angles P-C4'-P energy: -67.525
tors. eta vs tors. theta energy: -115.451
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: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1559.220033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.220033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.220033 (E_RNA)
where:
Base-Base interactions energy: -1088.189
where: short stacking energy: -458.832
Base-Backbone interact. energy: -1.780
local terms energy: -469.250771
where:
bonds (distance) C4'-P energy: -91.725
bonds (distance) P-C4' energy: -87.228
flat angles C4'-P-C4' energy: -109.233
flat angles P-C4'-P energy: -65.583
tors. eta vs tors. theta energy: -115.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1517.619895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.619895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.619895 (E_RNA)
where:
Base-Base interactions energy: -1068.233
where: short stacking energy: -436.365
Base-Backbone interact. energy: -4.038
local terms energy: -445.349189
where:
bonds (distance) C4'-P energy: -70.524
bonds (distance) P-C4' energy: -101.344
flat angles C4'-P-C4' energy: -94.290
flat angles P-C4'-P energy: -74.984
tors. eta vs tors. theta energy: -104.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1388.737766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.737766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.737766 (E_RNA)
where:
Base-Base interactions energy: -975.537
where: short stacking energy: -420.483
Base-Backbone interact. energy: -0.667
local terms energy: -412.533585
where:
bonds (distance) C4'-P energy: -69.214
bonds (distance) P-C4' energy: -82.043
flat angles C4'-P-C4' energy: -92.128
flat angles P-C4'-P energy: -70.864
tors. eta vs tors. theta energy: -98.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1157.718652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.718652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.718652 (E_RNA)
where:
Base-Base interactions energy: -757.892
where: short stacking energy: -336.502
Base-Backbone interact. energy: -2.296
local terms energy: -397.530400
where:
bonds (distance) C4'-P energy: -90.587
bonds (distance) P-C4' energy: -84.869
flat angles C4'-P-C4' energy: -93.152
flat angles P-C4'-P energy: -60.654
tors. eta vs tors. theta energy: -68.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -894.750082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.750082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.750082 (E_RNA)
where:
Base-Base interactions energy: -546.771
where: short stacking energy: -252.409
Base-Backbone interact. energy: 0.125
local terms energy: -348.104625
where:
bonds (distance) C4'-P energy: -89.345
bonds (distance) P-C4' energy: -94.683
flat angles C4'-P-C4' energy: -92.546
flat angles P-C4'-P energy: -40.014
tors. eta vs tors. theta energy: -31.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -614.770124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.770124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.770124 (E_RNA)
where:
Base-Base interactions energy: -322.348
where: short stacking energy: -174.565
Base-Backbone interact. energy: -2.773
local terms energy: -289.649020
where:
bonds (distance) C4'-P energy: -76.227
bonds (distance) P-C4' energy: -84.762
flat angles C4'-P-C4' energy: -76.501
flat angles P-C4'-P energy: -52.648
tors. eta vs tors. theta energy: 0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1841.832758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.832758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.832758 (E_RNA)
where:
Base-Base interactions energy: -1278.548
where: short stacking energy: -526.398
Base-Backbone interact. energy: -3.628
local terms energy: -559.656440
where:
bonds (distance) C4'-P energy: -103.795
bonds (distance) P-C4' energy: -108.250
flat angles C4'-P-C4' energy: -113.958
flat angles P-C4'-P energy: -71.115
tors. eta vs tors. theta energy: -162.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1794.886987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.886987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.886987 (E_RNA)
where:
Base-Base interactions energy: -1262.313
where: short stacking energy: -514.414
Base-Backbone interact. energy: -3.064
local terms energy: -529.509740
where:
bonds (distance) C4'-P energy: -85.598
bonds (distance) P-C4' energy: -99.889
flat angles C4'-P-C4' energy: -120.134
flat angles P-C4'-P energy: -84.022
tors. eta vs tors. theta energy: -139.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1668.654191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.654191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.654191 (E_RNA)
where:
Base-Base interactions energy: -1144.581
where: short stacking energy: -496.660
Base-Backbone interact. energy: -4.004
local terms energy: -520.069950
where:
bonds (distance) C4'-P energy: -105.166
bonds (distance) P-C4' energy: -105.139
flat angles C4'-P-C4' energy: -108.324
flat angles P-C4'-P energy: -71.850
tors. eta vs tors. theta energy: -129.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1605.353729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.353729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.353729 (E_RNA)
where:
Base-Base interactions energy: -1130.295
where: short stacking energy: -478.790
Base-Backbone interact. energy: -1.369
local terms energy: -473.689362
where:
bonds (distance) C4'-P energy: -85.308
bonds (distance) P-C4' energy: -94.070
flat angles C4'-P-C4' energy: -101.272
flat angles P-C4'-P energy: -68.055
tors. eta vs tors. theta energy: -124.985
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: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1493.747352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.747352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.747352 (E_RNA)
where:
Base-Base interactions energy: -1037.696
where: short stacking energy: -436.612
Base-Backbone interact. energy: -1.077
local terms energy: -454.974502
where:
bonds (distance) C4'-P energy: -79.249
bonds (distance) P-C4' energy: -91.917
flat angles C4'-P-C4' energy: -98.672
flat angles P-C4'-P energy: -69.207
tors. eta vs tors. theta energy: -115.930
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: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1491.772764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.772764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.772764 (E_RNA)
where:
Base-Base interactions energy: -1049.067
where: short stacking energy: -435.926
Base-Backbone interact. energy: -0.857
local terms energy: -441.848173
where:
bonds (distance) C4'-P energy: -94.680
bonds (distance) P-C4' energy: -78.498
flat angles C4'-P-C4' energy: -96.869
flat angles P-C4'-P energy: -65.035
tors. eta vs tors. theta energy: -106.766
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: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1368.918454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.918454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.918454 (E_RNA)
where:
Base-Base interactions energy: -954.802
where: short stacking energy: -384.178
Base-Backbone interact. energy: -1.521
local terms energy: -412.595844
where:
bonds (distance) C4'-P energy: -86.383
bonds (distance) P-C4' energy: -83.545
flat angles C4'-P-C4' energy: -87.717
flat angles P-C4'-P energy: -56.682
tors. eta vs tors. theta energy: -98.269
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: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1203.470197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.470197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.470197 (E_RNA)
where:
Base-Base interactions energy: -800.392
where: short stacking energy: -349.148
Base-Backbone interact. energy: -0.416
local terms energy: -402.661728
where:
bonds (distance) C4'-P energy: -88.217
bonds (distance) P-C4' energy: -96.456
flat angles C4'-P-C4' energy: -80.843
flat angles P-C4'-P energy: -52.634
tors. eta vs tors. theta energy: -84.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -944.703389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.703389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.703389 (E_RNA)
where:
Base-Base interactions energy: -590.578
where: short stacking energy: -271.254
Base-Backbone interact. energy: 3.278
local terms energy: -357.402797
where:
bonds (distance) C4'-P energy: -83.333
bonds (distance) P-C4' energy: -88.585
flat angles C4'-P-C4' energy: -82.720
flat angles P-C4'-P energy: -50.653
tors. eta vs tors. theta energy: -52.112
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: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -643.837308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.837308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.837308 (E_RNA)
where:
Base-Base interactions energy: -361.983
where: short stacking energy: -191.260
Base-Backbone interact. energy: 3.177
local terms energy: -285.031817
where:
bonds (distance) C4'-P energy: -86.705
bonds (distance) P-C4' energy: -91.382
flat angles C4'-P-C4' energy: -98.780
flat angles P-C4'-P energy: -23.991
tors. eta vs tors. theta energy: 15.827
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: 486
Temperature: 0.900000
Total energy: -1821.627427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.627427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.627427 (E_RNA)
where:
Base-Base interactions energy: -1271.511
where: short stacking energy: -524.660
Base-Backbone interact. energy: -1.643
local terms energy: -548.473268
where:
bonds (distance) C4'-P energy: -104.090
bonds (distance) P-C4' energy: -99.667
flat angles C4'-P-C4' energy: -126.222
flat angles P-C4'-P energy: -62.821
tors. eta vs tors. theta energy: -155.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1786.255867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.255867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.255867 (E_RNA)
where:
Base-Base interactions energy: -1263.295
where: short stacking energy: -487.473
Base-Backbone interact. energy: -2.341
local terms energy: -520.619891
where:
bonds (distance) C4'-P energy: -92.100
bonds (distance) P-C4' energy: -98.606
flat angles C4'-P-C4' energy: -111.268
flat angles P-C4'-P energy: -86.664
tors. eta vs tors. theta energy: -131.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1656.470129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.470129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.470129 (E_RNA)
where:
Base-Base interactions energy: -1138.872
where: short stacking energy: -480.934
Base-Backbone interact. energy: -3.140
local terms energy: -514.458090
where:
bonds (distance) C4'-P energy: -103.740
bonds (distance) P-C4' energy: -88.819
flat angles C4'-P-C4' energy: -118.057
flat angles P-C4'-P energy: -74.751
tors. eta vs tors. theta energy: -129.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1608.086232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.086232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.086232 (E_RNA)
where:
Base-Base interactions energy: -1118.048
where: short stacking energy: -438.446
Base-Backbone interact. energy: -1.954
local terms energy: -488.084247
where:
bonds (distance) C4'-P energy: -110.751
bonds (distance) P-C4' energy: -94.010
flat angles C4'-P-C4' energy: -93.374
flat angles P-C4'-P energy: -70.624
tors. eta vs tors. theta energy: -119.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1572.881012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.881012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.881012 (E_RNA)
where:
Base-Base interactions energy: -1092.408
where: short stacking energy: -470.728
Base-Backbone interact. energy: -3.391
local terms energy: -477.081325
where:
bonds (distance) C4'-P energy: -95.444
bonds (distance) P-C4' energy: -83.584
flat angles C4'-P-C4' energy: -106.399
flat angles P-C4'-P energy: -66.104
tors. eta vs tors. theta energy: -125.551
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: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1478.846133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.846133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.846133 (E_RNA)
where:
Base-Base interactions energy: -1016.076
where: short stacking energy: -436.485
Base-Backbone interact. energy: -0.676
local terms energy: -462.094251
where:
bonds (distance) C4'-P energy: -84.528
bonds (distance) P-C4' energy: -92.998
flat angles C4'-P-C4' energy: -105.636
flat angles P-C4'-P energy: -65.877
tors. eta vs tors. theta energy: -113.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1401.122602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.122602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.122602 (E_RNA)
where:
Base-Base interactions energy: -973.471
where: short stacking energy: -411.277
Base-Backbone interact. energy: 1.260
local terms energy: -428.911570
where:
bonds (distance) C4'-P energy: -83.838
bonds (distance) P-C4' energy: -75.098
flat angles C4'-P-C4' energy: -104.270
flat angles P-C4'-P energy: -61.770
tors. eta vs tors. theta energy: -103.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1181.970685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.970685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.970685 (E_RNA)
where:
Base-Base interactions energy: -806.240
where: short stacking energy: -338.554
Base-Backbone interact. energy: -1.666
local terms energy: -374.064794
where:
bonds (distance) C4'-P energy: -69.176
bonds (distance) P-C4' energy: -91.600
flat angles C4'-P-C4' energy: -87.596
flat angles P-C4'-P energy: -48.398
tors. eta vs tors. theta energy: -77.295
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: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -962.838914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.838914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.838914 (E_RNA)
where:
Base-Base interactions energy: -599.223
where: short stacking energy: -271.142
Base-Backbone interact. energy: 2.750
local terms energy: -366.365682
where:
bonds (distance) C4'-P energy: -96.653
bonds (distance) P-C4' energy: -78.082
flat angles C4'-P-C4' energy: -86.588
flat angles P-C4'-P energy: -52.030
tors. eta vs tors. theta energy: -53.013
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: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -661.749958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.749958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.749958 (E_RNA)
where:
Base-Base interactions energy: -353.485
where: short stacking energy: -199.339
Base-Backbone interact. energy: 0.273
local terms energy: -308.537780
where:
bonds (distance) C4'-P energy: -76.680
bonds (distance) P-C4' energy: -86.594
flat angles C4'-P-C4' energy: -75.923
flat angles P-C4'-P energy: -49.514
tors. eta vs tors. theta energy: -19.826
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: 1, replica: 6
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1830.713904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.713904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.713904 (E_RNA)
where:
Base-Base interactions energy: -1288.668
where: short stacking energy: -529.805
Base-Backbone interact. energy: -2.752
local terms energy: -539.294185
where:
bonds (distance) C4'-P energy: -98.029
bonds (distance) P-C4' energy: -88.266
flat angles C4'-P-C4' energy: -115.055
flat angles P-C4'-P energy: -79.891
tors. eta vs tors. theta energy: -158.053
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: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1773.461875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.461875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.461875 (E_RNA)
where:
Base-Base interactions energy: -1273.599
where: short stacking energy: -493.875
Base-Backbone interact. energy: -0.710
local terms energy: -499.153106
where:
bonds (distance) C4'-P energy: -92.112
bonds (distance) P-C4' energy: -100.675
flat angles C4'-P-C4' energy: -104.382
flat angles P-C4'-P energy: -70.732
tors. eta vs tors. theta energy: -131.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1669.975729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.975729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.975729 (E_RNA)
where:
Base-Base interactions energy: -1170.495
where: short stacking energy: -473.819
Base-Backbone interact. energy: -3.084
local terms energy: -496.396538
where:
bonds (distance) C4'-P energy: -98.415
bonds (distance) P-C4' energy: -99.981
flat angles C4'-P-C4' energy: -100.279
flat angles P-C4'-P energy: -71.866
tors. eta vs tors. theta energy: -125.856
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: 487
Temperature: 1.050000
Total energy: -1593.184838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.184838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.184838 (E_RNA)
where:
Base-Base interactions energy: -1127.751
where: short stacking energy: -444.510
Base-Backbone interact. energy: -3.132
local terms energy: -462.302677
where:
bonds (distance) C4'-P energy: -82.184
bonds (distance) P-C4' energy: -90.580
flat angles C4'-P-C4' energy: -105.178
flat angles P-C4'-P energy: -66.412
tors. eta vs tors. theta energy: -117.948
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: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1557.005236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.005236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.005236 (E_RNA)
where:
Base-Base interactions energy: -1103.850
where: short stacking energy: -451.270
Base-Backbone interact. energy: 4.789
local terms energy: -457.944556
where:
bonds (distance) C4'-P energy: -89.902
bonds (distance) P-C4' energy: -94.825
flat angles C4'-P-C4' energy: -102.712
flat angles P-C4'-P energy: -67.036
tors. eta vs tors. theta energy: -103.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1458.238925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.238925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.238925 (E_RNA)
where:
Base-Base interactions energy: -998.439
where: short stacking energy: -399.086
Base-Backbone interact. energy: -1.095
local terms energy: -458.704846
where:
bonds (distance) C4'-P energy: -89.347
bonds (distance) P-C4' energy: -83.982
flat angles C4'-P-C4' energy: -103.167
flat angles P-C4'-P energy: -79.055
tors. eta vs tors. theta energy: -103.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1341.588086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.588086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.588086 (E_RNA)
where:
Base-Base interactions energy: -907.349
where: short stacking energy: -399.221
Base-Backbone interact. energy: -1.115
local terms energy: -433.124255
where:
bonds (distance) C4'-P energy: -90.451
bonds (distance) P-C4' energy: -93.125
flat angles C4'-P-C4' energy: -95.863
flat angles P-C4'-P energy: -60.044
tors. eta vs tors. theta energy: -93.641
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: 487
Temperature: 1.250000
Total energy: -1185.032587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.032587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.032587 (E_RNA)
where:
Base-Base interactions energy: -782.582
where: short stacking energy: -314.913
Base-Backbone interact. energy: -2.959
local terms energy: -399.491704
where:
bonds (distance) C4'-P energy: -89.489
bonds (distance) P-C4' energy: -88.466
flat angles C4'-P-C4' energy: -95.225
flat angles P-C4'-P energy: -51.807
tors. eta vs tors. theta energy: -74.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -920.989957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.989957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.989957 (E_RNA)
where:
Base-Base interactions energy: -562.560
where: short stacking energy: -261.796
Base-Backbone interact. energy: 1.042
local terms energy: -359.472086
where:
bonds (distance) C4'-P energy: -88.966
bonds (distance) P-C4' energy: -91.290
flat angles C4'-P-C4' energy: -86.630
flat angles P-C4'-P energy: -53.313
tors. eta vs tors. theta energy: -39.273
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: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -659.257141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.257141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.257141 (E_RNA)
where:
Base-Base interactions energy: -376.797
where: short stacking energy: -172.404
Base-Backbone interact. energy: 0.418
local terms energy: -282.877574
where:
bonds (distance) C4'-P energy: -74.935
bonds (distance) P-C4' energy: -87.060
flat angles C4'-P-C4' energy: -76.620
flat angles P-C4'-P energy: -37.624
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1843.403150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.403150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.403150 (E_RNA)
where:
Base-Base interactions energy: -1281.541
where: short stacking energy: -531.486
Base-Backbone interact. energy: -1.555
local terms energy: -560.307781
where:
bonds (distance) C4'-P energy: -107.746
bonds (distance) P-C4' energy: -112.621
flat angles C4'-P-C4' energy: -123.423
flat angles P-C4'-P energy: -74.980
tors. eta vs tors. theta energy: -141.539
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: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1833.664808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.664808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.664808 (E_RNA)
where:
Base-Base interactions energy: -1305.804
where: short stacking energy: -515.782
Base-Backbone interact. energy: -3.118
local terms energy: -524.743207
where:
bonds (distance) C4'-P energy: -93.122
bonds (distance) P-C4' energy: -100.577
flat angles C4'-P-C4' energy: -114.067
flat angles P-C4'-P energy: -78.476
tors. eta vs tors. theta energy: -138.502
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: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1713.824345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.824345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.824345 (E_RNA)
where:
Base-Base interactions energy: -1214.640
where: short stacking energy: -472.493
Base-Backbone interact. energy: 4.395
local terms energy: -503.578893
where:
bonds (distance) C4'-P energy: -93.651
bonds (distance) P-C4' energy: -98.904
flat angles C4'-P-C4' energy: -114.148
flat angles P-C4'-P energy: -58.149
tors. eta vs tors. theta energy: -138.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1591.004473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.004473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.004473 (E_RNA)
where:
Base-Base interactions energy: -1120.474
where: short stacking energy: -437.474
Base-Backbone interact. energy: -0.814
local terms energy: -469.716220
where:
bonds (distance) C4'-P energy: -88.236
bonds (distance) P-C4' energy: -100.261
flat angles C4'-P-C4' energy: -105.883
flat angles P-C4'-P energy: -68.031
tors. eta vs tors. theta energy: -107.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1569.024180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.024180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.024180 (E_RNA)
where:
Base-Base interactions energy: -1106.064
where: short stacking energy: -450.306
Base-Backbone interact. energy: -3.948
local terms energy: -459.012077
where:
bonds (distance) C4'-P energy: -79.946
bonds (distance) P-C4' energy: -86.502
flat angles C4'-P-C4' energy: -100.470
flat angles P-C4'-P energy: -83.984
tors. eta vs tors. theta energy: -108.109
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: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1496.150918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.150918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.150918 (E_RNA)
where:
Base-Base interactions energy: -1033.849
where: short stacking energy: -421.048
Base-Backbone interact. energy: -2.004
local terms energy: -460.298020
where:
bonds (distance) C4'-P energy: -78.603
bonds (distance) P-C4' energy: -91.718
flat angles C4'-P-C4' energy: -109.928
flat angles P-C4'-P energy: -71.981
tors. eta vs tors. theta energy: -108.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1323.670705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.670705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.670705 (E_RNA)
where:
Base-Base interactions energy: -902.351
where: short stacking energy: -376.305
Base-Backbone interact. energy: -2.123
local terms energy: -419.196939
where:
bonds (distance) C4'-P energy: -92.141
bonds (distance) P-C4' energy: -92.697
flat angles C4'-P-C4' energy: -88.691
flat angles P-C4'-P energy: -59.675
tors. eta vs tors. theta energy: -85.993
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: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1225.882638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.882638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.882638 (E_RNA)
where:
Base-Base interactions energy: -818.141
where: short stacking energy: -336.140
Base-Backbone interact. energy: 0.509
local terms energy: -408.250997
where:
bonds (distance) C4'-P energy: -79.288
bonds (distance) P-C4' energy: -88.362
flat angles C4'-P-C4' energy: -95.178
flat angles P-C4'-P energy: -60.634
tors. eta vs tors. theta energy: -84.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -882.655107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.655107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.655107 (E_RNA)
where:
Base-Base interactions energy: -537.826
where: short stacking energy: -258.693
Base-Backbone interact. energy: -1.898
local terms energy: -342.931004
where:
bonds (distance) C4'-P energy: -74.286
bonds (distance) P-C4' energy: -90.105
flat angles C4'-P-C4' energy: -80.866
flat angles P-C4'-P energy: -54.039
tors. eta vs tors. theta energy: -43.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -686.739321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.739321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.739321 (E_RNA)
where:
Base-Base interactions energy: -386.983
where: short stacking energy: -200.665
Base-Backbone interact. energy: -0.541
local terms energy: -299.215068
where:
bonds (distance) C4'-P energy: -72.379
bonds (distance) P-C4' energy: -86.495
flat angles C4'-P-C4' energy: -83.375
flat angles P-C4'-P energy: -46.738
tors. eta vs tors. theta energy: -10.229
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: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1835.387206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.387206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.387206 (E_RNA)
where:
Base-Base interactions energy: -1279.575
where: short stacking energy: -528.796
Base-Backbone interact. energy: 1.914
local terms energy: -557.726522
where:
bonds (distance) C4'-P energy: -99.288
bonds (distance) P-C4' energy: -109.862
flat angles C4'-P-C4' energy: -115.949
flat angles P-C4'-P energy: -85.128
tors. eta vs tors. theta energy: -147.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1809.849574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.849574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.849574 (E_RNA)
where:
Base-Base interactions energy: -1284.570
where: short stacking energy: -512.993
Base-Backbone interact. energy: -3.065
local terms energy: -522.213803
where:
bonds (distance) C4'-P energy: -102.918
bonds (distance) P-C4' energy: -98.571
flat angles C4'-P-C4' energy: -114.187
flat angles P-C4'-P energy: -71.716
tors. eta vs tors. theta energy: -134.822
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: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1711.041386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.041386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.041386 (E_RNA)
where:
Base-Base interactions energy: -1205.639
where: short stacking energy: -496.667
Base-Backbone interact. energy: -2.101
local terms energy: -503.300763
where:
bonds (distance) C4'-P energy: -94.225
bonds (distance) P-C4' energy: -98.991
flat angles C4'-P-C4' energy: -108.131
flat angles P-C4'-P energy: -70.908
tors. eta vs tors. theta energy: -131.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1595.724549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.724549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.724549 (E_RNA)
where:
Base-Base interactions energy: -1100.327
where: short stacking energy: -480.890
Base-Backbone interact. energy: -1.561
local terms energy: -493.836489
where:
bonds (distance) C4'-P energy: -85.886
bonds (distance) P-C4' energy: -113.768
flat angles C4'-P-C4' energy: -103.724
flat angles P-C4'-P energy: -69.310
tors. eta vs tors. theta energy: -121.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1539.404638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.404638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.404638 (E_RNA)
where:
Base-Base interactions energy: -1076.158
where: short stacking energy: -441.517
Base-Backbone interact. energy: 2.713
local terms energy: -465.959613
where:
bonds (distance) C4'-P energy: -96.567
bonds (distance) P-C4' energy: -87.016
flat angles C4'-P-C4' energy: -110.984
flat angles P-C4'-P energy: -59.555
tors. eta vs tors. theta energy: -111.837
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: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1538.765689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.765689 (E_RNA)
where:
Base-Base interactions energy: -1068.872
where: short stacking energy: -444.289
Base-Backbone interact. energy: -0.862
local terms energy: -469.032129
where:
bonds (distance) C4'-P energy: -75.115
bonds (distance) P-C4' energy: -105.897
flat angles C4'-P-C4' energy: -104.316
flat angles P-C4'-P energy: -74.413
tors. eta vs tors. theta energy: -109.291
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: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1364.492432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.492432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.492432 (E_RNA)
where:
Base-Base interactions energy: -938.832
where: short stacking energy: -396.017
Base-Backbone interact. energy: 0.182
local terms energy: -425.842166
where:
bonds (distance) C4'-P energy: -95.395
bonds (distance) P-C4' energy: -82.356
flat angles C4'-P-C4' energy: -90.227
flat angles P-C4'-P energy: -52.644
tors. eta vs tors. theta energy: -105.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1201.778367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.778367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.778367 (E_RNA)
where:
Base-Base interactions energy: -840.434
where: short stacking energy: -352.007
Base-Backbone interact. energy: -1.600
local terms energy: -359.744663
where:
bonds (distance) C4'-P energy: -83.831
bonds (distance) P-C4' energy: -82.196
flat angles C4'-P-C4' energy: -72.363
flat angles P-C4'-P energy: -45.976
tors. eta vs tors. theta energy: -75.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -982.065300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.065300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.065300 (E_RNA)
where:
Base-Base interactions energy: -666.903
where: short stacking energy: -317.141
Base-Backbone interact. energy: -1.867
local terms energy: -313.294931
where:
bonds (distance) C4'-P energy: -64.745
bonds (distance) P-C4' energy: -77.985
flat angles C4'-P-C4' energy: -77.031
flat angles P-C4'-P energy: -31.217
tors. eta vs tors. theta energy: -62.317
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: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -678.531667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.531667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.531667 (E_RNA)
where:
Base-Base interactions energy: -368.305
where: short stacking energy: -207.575
Base-Backbone interact. energy: 0.834
local terms energy: -311.060691
where:
bonds (distance) C4'-P energy: -77.348
bonds (distance) P-C4' energy: -92.121
flat angles C4'-P-C4' energy: -77.074
flat angles P-C4'-P energy: -46.813
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1834.991505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.991505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.991505 (E_RNA)
where:
Base-Base interactions energy: -1297.036
where: short stacking energy: -500.617
Base-Backbone interact. energy: 1.294
local terms energy: -539.249896
where:
bonds (distance) C4'-P energy: -100.961
bonds (distance) P-C4' energy: -102.150
flat angles C4'-P-C4' energy: -118.163
flat angles P-C4'-P energy: -81.702
tors. eta vs tors. theta energy: -136.273
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: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1786.566417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.566417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.566417 (E_RNA)
where:
Base-Base interactions energy: -1244.291
where: short stacking energy: -492.735
Base-Backbone interact. energy: -5.124
local terms energy: -537.151245
where:
bonds (distance) C4'-P energy: -110.443
bonds (distance) P-C4' energy: -99.371
flat angles C4'-P-C4' energy: -111.599
flat angles P-C4'-P energy: -73.821
tors. eta vs tors. theta energy: -141.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1645.801314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.801314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.801314 (E_RNA)
where:
Base-Base interactions energy: -1142.305
where: short stacking energy: -483.575
Base-Backbone interact. energy: -2.496
local terms energy: -501.000692
where:
bonds (distance) C4'-P energy: -99.190
bonds (distance) P-C4' energy: -95.607
flat angles C4'-P-C4' energy: -103.479
flat angles P-C4'-P energy: -79.038
tors. eta vs tors. theta energy: -123.687
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: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1643.858899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.858899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.858899 (E_RNA)
where:
Base-Base interactions energy: -1153.658
where: short stacking energy: -471.310
Base-Backbone interact. energy: -1.583
local terms energy: -488.618313
where:
bonds (distance) C4'-P energy: -93.060
bonds (distance) P-C4' energy: -105.191
flat angles C4'-P-C4' energy: -102.461
flat angles P-C4'-P energy: -62.903
tors. eta vs tors. theta energy: -125.003
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: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1582.533219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.533219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.533219 (E_RNA)
where:
Base-Base interactions energy: -1130.615
where: short stacking energy: -453.599
Base-Backbone interact. energy: -1.737
local terms energy: -450.180268
where:
bonds (distance) C4'-P energy: -75.666
bonds (distance) P-C4' energy: -91.151
flat angles C4'-P-C4' energy: -97.942
flat angles P-C4'-P energy: -67.310
tors. eta vs tors. theta energy: -118.112
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: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1470.885382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.885382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.885382 (E_RNA)
where:
Base-Base interactions energy: -1020.537
where: short stacking energy: -429.465
Base-Backbone interact. energy: -0.315
local terms energy: -450.033118
where:
bonds (distance) C4'-P energy: -79.607
bonds (distance) P-C4' energy: -95.096
flat angles C4'-P-C4' energy: -92.172
flat angles P-C4'-P energy: -68.100
tors. eta vs tors. theta energy: -115.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1374.733256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.733256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.733256 (E_RNA)
where:
Base-Base interactions energy: -943.034
where: short stacking energy: -406.954
Base-Backbone interact. energy: -0.390
local terms energy: -431.309655
where:
bonds (distance) C4'-P energy: -98.257
bonds (distance) P-C4' energy: -90.891
flat angles C4'-P-C4' energy: -97.615
flat angles P-C4'-P energy: -53.343
tors. eta vs tors. theta energy: -91.204
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: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1226.469726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.469726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.469726 (E_RNA)
where:
Base-Base interactions energy: -811.738
where: short stacking energy: -339.596
Base-Backbone interact. energy: 2.905
local terms energy: -417.636988
where:
bonds (distance) C4'-P energy: -88.703
bonds (distance) P-C4' energy: -91.268
flat angles C4'-P-C4' energy: -103.741
flat angles P-C4'-P energy: -62.665
tors. eta vs tors. theta energy: -71.261
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: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -919.496836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.496836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.496836 (E_RNA)
where:
Base-Base interactions energy: -566.946
where: short stacking energy: -261.991
Base-Backbone interact. energy: 1.519
local terms energy: -354.069905
where:
bonds (distance) C4'-P energy: -85.892
bonds (distance) P-C4' energy: -71.433
flat angles C4'-P-C4' energy: -93.342
flat angles P-C4'-P energy: -53.187
tors. eta vs tors. theta energy: -50.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -679.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.984466 (E_RNA)
where:
Base-Base interactions energy: -380.850
where: short stacking energy: -170.149
Base-Backbone interact. energy: -1.241
local terms energy: -297.892593
where:
bonds (distance) C4'-P energy: -73.751
bonds (distance) P-C4' energy: -89.806
flat angles C4'-P-C4' energy: -82.128
flat angles P-C4'-P energy: -50.868
tors. eta vs tors. theta energy: -1.340
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: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1849.022556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.022556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.022556 (E_RNA)
where:
Base-Base interactions energy: -1303.070
where: short stacking energy: -525.009
Base-Backbone interact. energy: 0.253
local terms energy: -546.205447
where:
bonds (distance) C4'-P energy: -88.109
bonds (distance) P-C4' energy: -108.912
flat angles C4'-P-C4' energy: -120.212
flat angles P-C4'-P energy: -83.403
tors. eta vs tors. theta energy: -145.569
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: 491
Temperature: 0.950000
Total energy: -1798.707710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.707710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.707710 (E_RNA)
where:
Base-Base interactions energy: -1258.372
where: short stacking energy: -510.642
Base-Backbone interact. energy: 0.336
local terms energy: -540.672110
where:
bonds (distance) C4'-P energy: -111.734
bonds (distance) P-C4' energy: -87.993
flat angles C4'-P-C4' energy: -111.393
flat angles P-C4'-P energy: -80.696
tors. eta vs tors. theta energy: -148.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1636.786998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.786998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.786998 (E_RNA)
where:
Base-Base interactions energy: -1126.009
where: short stacking energy: -484.334
Base-Backbone interact. energy: -3.491
local terms energy: -507.286678
where:
bonds (distance) C4'-P energy: -97.227
bonds (distance) P-C4' energy: -106.765
flat angles C4'-P-C4' energy: -110.594
flat angles P-C4'-P energy: -67.282
tors. eta vs tors. theta energy: -125.419
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: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1673.364051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.364051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.364051 (E_RNA)
where:
Base-Base interactions energy: -1183.870
where: short stacking energy: -472.500
Base-Backbone interact. energy: 1.826
local terms energy: -491.320089
where:
bonds (distance) C4'-P energy: -83.575
bonds (distance) P-C4' energy: -99.087
flat angles C4'-P-C4' energy: -100.754
flat angles P-C4'-P energy: -77.357
tors. eta vs tors. theta energy: -130.546
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: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1532.444630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.444630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.444630 (E_RNA)
where:
Base-Base interactions energy: -1076.638
where: short stacking energy: -469.703
Base-Backbone interact. energy: 0.247
local terms energy: -456.053076
where:
bonds (distance) C4'-P energy: -80.130
bonds (distance) P-C4' energy: -103.902
flat angles C4'-P-C4' energy: -100.445
flat angles P-C4'-P energy: -56.626
tors. eta vs tors. theta energy: -114.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1463.176160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.176160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.176160 (E_RNA)
where:
Base-Base interactions energy: -1029.159
where: short stacking energy: -415.652
Base-Backbone interact. energy: 0.276
local terms energy: -434.293358
where:
bonds (distance) C4'-P energy: -81.144
bonds (distance) P-C4' energy: -86.397
flat angles C4'-P-C4' energy: -98.518
flat angles P-C4'-P energy: -63.245
tors. eta vs tors. theta energy: -104.989
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: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1333.485579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.485579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.485579 (E_RNA)
where:
Base-Base interactions energy: -939.693
where: short stacking energy: -409.044
Base-Backbone interact. energy: -1.673
local terms energy: -392.119486
where:
bonds (distance) C4'-P energy: -67.814
bonds (distance) P-C4' energy: -72.692
flat angles C4'-P-C4' energy: -98.860
flat angles P-C4'-P energy: -63.291
tors. eta vs tors. theta energy: -89.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1259.509771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.509771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.509771 (E_RNA)
where:
Base-Base interactions energy: -858.971
where: short stacking energy: -341.496
Base-Backbone interact. energy: -4.172
local terms energy: -396.367263
where:
bonds (distance) C4'-P energy: -92.449
bonds (distance) P-C4' energy: -81.484
flat angles C4'-P-C4' energy: -92.010
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -84.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -894.463965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.463965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.463965 (E_RNA)
where:
Base-Base interactions energy: -539.173
where: short stacking energy: -259.218
Base-Backbone interact. energy: -1.078
local terms energy: -354.212838
where:
bonds (distance) C4'-P energy: -77.606
bonds (distance) P-C4' energy: -87.780
flat angles C4'-P-C4' energy: -81.110
flat angles P-C4'-P energy: -54.760
tors. eta vs tors. theta energy: -52.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -674.583013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.583013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.583013 (E_RNA)
where:
Base-Base interactions energy: -381.398
where: short stacking energy: -185.018
Base-Backbone interact. energy: -2.718
local terms energy: -290.466966
where:
bonds (distance) C4'-P energy: -72.041
bonds (distance) P-C4' energy: -82.366
flat angles C4'-P-C4' energy: -73.578
flat angles P-C4'-P energy: -58.870
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1850.490971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.490971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.490971 (E_RNA)
where:
Base-Base interactions energy: -1327.853
where: short stacking energy: -531.874
Base-Backbone interact. energy: -2.287
local terms energy: -520.351280
where:
bonds (distance) C4'-P energy: -88.562
bonds (distance) P-C4' energy: -105.491
flat angles C4'-P-C4' energy: -125.690
flat angles P-C4'-P energy: -69.906
tors. eta vs tors. theta energy: -130.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1793.021972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.021972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.021972 (E_RNA)
where:
Base-Base interactions energy: -1249.115
where: short stacking energy: -512.844
Base-Backbone interact. energy: -1.843
local terms energy: -542.064049
where:
bonds (distance) C4'-P energy: -101.817
bonds (distance) P-C4' energy: -101.326
flat angles C4'-P-C4' energy: -123.689
flat angles P-C4'-P energy: -73.322
tors. eta vs tors. theta energy: -141.910
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: 492
Temperature: 1.000000
Total energy: -1712.083829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.083829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.083829 (E_RNA)
where:
Base-Base interactions energy: -1214.369
where: short stacking energy: -475.194
Base-Backbone interact. energy: -1.537
local terms energy: -496.177594
where:
bonds (distance) C4'-P energy: -90.212
bonds (distance) P-C4' energy: -89.418
flat angles C4'-P-C4' energy: -111.689
flat angles P-C4'-P energy: -70.289
tors. eta vs tors. theta energy: -134.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1615.157312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.157312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.157312 (E_RNA)
where:
Base-Base interactions energy: -1113.785
where: short stacking energy: -452.899
Base-Backbone interact. energy: -3.969
local terms energy: -497.403091
where:
bonds (distance) C4'-P energy: -97.896
bonds (distance) P-C4' energy: -100.664
flat angles C4'-P-C4' energy: -112.625
flat angles P-C4'-P energy: -64.786
tors. eta vs tors. theta energy: -121.432
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: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1524.413186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.413186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.413186 (E_RNA)
where:
Base-Base interactions energy: -1065.818
where: short stacking energy: -417.194
Base-Backbone interact. energy: -1.048
local terms energy: -457.547160
where:
bonds (distance) C4'-P energy: -104.451
bonds (distance) P-C4' energy: -83.776
flat angles C4'-P-C4' energy: -103.578
flat angles P-C4'-P energy: -60.635
tors. eta vs tors. theta energy: -105.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1487.572862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.572862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.572862 (E_RNA)
where:
Base-Base interactions energy: -1034.794
where: short stacking energy: -437.492
Base-Backbone interact. energy: -1.038
local terms energy: -451.740227
where:
bonds (distance) C4'-P energy: -83.962
bonds (distance) P-C4' energy: -98.481
flat angles C4'-P-C4' energy: -93.305
flat angles P-C4'-P energy: -66.258
tors. eta vs tors. theta energy: -109.734
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: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1329.347254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.347254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.347254 (E_RNA)
where:
Base-Base interactions energy: -898.194
where: short stacking energy: -369.128
Base-Backbone interact. energy: -4.056
local terms energy: -427.097554
where:
bonds (distance) C4'-P energy: -91.240
bonds (distance) P-C4' energy: -96.311
flat angles C4'-P-C4' energy: -93.833
flat angles P-C4'-P energy: -51.293
tors. eta vs tors. theta energy: -94.421
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: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1278.960444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.960444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.960444 (E_RNA)
where:
Base-Base interactions energy: -867.486
where: short stacking energy: -374.126
Base-Backbone interact. energy: 0.174
local terms energy: -411.649120
where:
bonds (distance) C4'-P energy: -86.521
bonds (distance) P-C4' energy: -92.443
flat angles C4'-P-C4' energy: -93.986
flat angles P-C4'-P energy: -47.878
tors. eta vs tors. theta energy: -90.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -842.216580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.216580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.216580 (E_RNA)
where:
Base-Base interactions energy: -521.936
where: short stacking energy: -263.079
Base-Backbone interact. energy: 2.592
local terms energy: -322.872714
where:
bonds (distance) C4'-P energy: -82.016
bonds (distance) P-C4' energy: -85.434
flat angles C4'-P-C4' energy: -76.538
flat angles P-C4'-P energy: -46.325
tors. eta vs tors. theta energy: -32.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -666.720076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.720076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.720076 (E_RNA)
where:
Base-Base interactions energy: -369.354
where: short stacking energy: -213.251
Base-Backbone interact. energy: 1.601
local terms energy: -298.967150
where:
bonds (distance) C4'-P energy: -79.825
bonds (distance) P-C4' energy: -89.868
flat angles C4'-P-C4' energy: -79.044
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -23.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1840.255622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.255622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.255622 (E_RNA)
where:
Base-Base interactions energy: -1310.232
where: short stacking energy: -502.196
Base-Backbone interact. energy: -3.590
local terms energy: -526.433458
where:
bonds (distance) C4'-P energy: -103.088
bonds (distance) P-C4' energy: -94.683
flat angles C4'-P-C4' energy: -115.311
flat angles P-C4'-P energy: -77.565
tors. eta vs tors. theta energy: -135.786
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: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1820.382326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.382326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.382326 (E_RNA)
where:
Base-Base interactions energy: -1271.142
where: short stacking energy: -530.569
Base-Backbone interact. energy: -1.927
local terms energy: -547.313488
where:
bonds (distance) C4'-P energy: -95.966
bonds (distance) P-C4' energy: -101.966
flat angles C4'-P-C4' energy: -126.097
flat angles P-C4'-P energy: -67.137
tors. eta vs tors. theta energy: -156.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1715.718083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.718083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.718083 (E_RNA)
where:
Base-Base interactions energy: -1234.113
where: short stacking energy: -494.991
Base-Backbone interact. energy: -2.655
local terms energy: -478.949727
where:
bonds (distance) C4'-P energy: -86.381
bonds (distance) P-C4' energy: -85.333
flat angles C4'-P-C4' energy: -109.271
flat angles P-C4'-P energy: -69.324
tors. eta vs tors. theta energy: -128.642
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: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1592.937420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.937420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.937420 (E_RNA)
where:
Base-Base interactions energy: -1107.965
where: short stacking energy: -449.432
Base-Backbone interact. energy: -2.991
local terms energy: -481.981151
where:
bonds (distance) C4'-P energy: -82.448
bonds (distance) P-C4' energy: -105.221
flat angles C4'-P-C4' energy: -100.535
flat angles P-C4'-P energy: -80.937
tors. eta vs tors. theta energy: -112.840
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: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1581.323428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.323428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.323428 (E_RNA)
where:
Base-Base interactions energy: -1091.815
where: short stacking energy: -451.726
Base-Backbone interact. energy: -3.046
local terms energy: -486.463249
where:
bonds (distance) C4'-P energy: -93.306
bonds (distance) P-C4' energy: -94.275
flat angles C4'-P-C4' energy: -105.935
flat angles P-C4'-P energy: -73.176
tors. eta vs tors. theta energy: -119.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1504.716125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.716125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.716125 (E_RNA)
where:
Base-Base interactions energy: -1068.829
where: short stacking energy: -443.228
Base-Backbone interact. energy: -0.176
local terms energy: -435.710509
where:
bonds (distance) C4'-P energy: -62.874
bonds (distance) P-C4' energy: -95.245
flat angles C4'-P-C4' energy: -92.406
flat angles P-C4'-P energy: -58.116
tors. eta vs tors. theta energy: -127.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1368.353484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.353484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.353484 (E_RNA)
where:
Base-Base interactions energy: -941.615
where: short stacking energy: -407.325
Base-Backbone interact. energy: -3.207
local terms energy: -423.531491
where:
bonds (distance) C4'-P energy: -73.395
bonds (distance) P-C4' energy: -91.452
flat angles C4'-P-C4' energy: -89.701
flat angles P-C4'-P energy: -63.559
tors. eta vs tors. theta energy: -105.425
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: 493
Temperature: 1.250000
Total energy: -1360.142501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.142501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.142501 (E_RNA)
where:
Base-Base interactions energy: -941.696
where: short stacking energy: -412.191
Base-Backbone interact. energy: -0.678
local terms energy: -417.768256
where:
bonds (distance) C4'-P energy: -87.401
bonds (distance) P-C4' energy: -89.896
flat angles C4'-P-C4' energy: -87.362
flat angles P-C4'-P energy: -54.651
tors. eta vs tors. theta energy: -98.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -827.187281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.187281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.187281 (E_RNA)
where:
Base-Base interactions energy: -511.266
where: short stacking energy: -254.345
Base-Backbone interact. energy: -0.604
local terms energy: -315.317950
where:
bonds (distance) C4'-P energy: -85.564
bonds (distance) P-C4' energy: -89.485
flat angles C4'-P-C4' energy: -69.018
flat angles P-C4'-P energy: -46.100
tors. eta vs tors. theta energy: -25.152
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: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -670.482727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.482727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.482727 (E_RNA)
where:
Base-Base interactions energy: -399.354
where: short stacking energy: -191.258
Base-Backbone interact. energy: -2.357
local terms energy: -268.772014
where:
bonds (distance) C4'-P energy: -57.756
bonds (distance) P-C4' energy: -74.292
flat angles C4'-P-C4' energy: -72.710
flat angles P-C4'-P energy: -47.881
tors. eta vs tors. theta energy: -16.133
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: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1877.170529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.170529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.170529 (E_RNA)
where:
Base-Base interactions energy: -1311.555
where: short stacking energy: -520.124
Base-Backbone interact. energy: -3.432
local terms energy: -562.184211
where:
bonds (distance) C4'-P energy: -115.313
bonds (distance) P-C4' energy: -103.341
flat angles C4'-P-C4' energy: -119.642
flat angles P-C4'-P energy: -88.774
tors. eta vs tors. theta energy: -135.114
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: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1807.499413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.499413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.499413 (E_RNA)
where:
Base-Base interactions energy: -1279.757
where: short stacking energy: -530.386
Base-Backbone interact. energy: -4.418
local terms energy: -523.324710
where:
bonds (distance) C4'-P energy: -106.915
bonds (distance) P-C4' energy: -93.231
flat angles C4'-P-C4' energy: -103.781
flat angles P-C4'-P energy: -77.239
tors. eta vs tors. theta energy: -142.160
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: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1711.740506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.740506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.740506 (E_RNA)
where:
Base-Base interactions energy: -1193.433
where: short stacking energy: -478.981
Base-Backbone interact. energy: -1.977
local terms energy: -516.330468
where:
bonds (distance) C4'-P energy: -99.072
bonds (distance) P-C4' energy: -106.166
flat angles C4'-P-C4' energy: -110.082
flat angles P-C4'-P energy: -79.390
tors. eta vs tors. theta energy: -121.620
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: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1612.767215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.767215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.767215 (E_RNA)
where:
Base-Base interactions energy: -1125.349
where: short stacking energy: -465.873
Base-Backbone interact. energy: -1.096
local terms energy: -486.321884
where:
bonds (distance) C4'-P energy: -87.687
bonds (distance) P-C4' energy: -99.654
flat angles C4'-P-C4' energy: -98.719
flat angles P-C4'-P energy: -66.079
tors. eta vs tors. theta energy: -134.183
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: 5, replica: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1527.211930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.211930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.211930 (E_RNA)
where:
Base-Base interactions energy: -1095.793
where: short stacking energy: -436.298
Base-Backbone interact. energy: 0.125
local terms energy: -431.543925
where:
bonds (distance) C4'-P energy: -73.076
bonds (distance) P-C4' energy: -79.097
flat angles C4'-P-C4' energy: -108.498
flat angles P-C4'-P energy: -64.377
tors. eta vs tors. theta energy: -106.495
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: 6, replica: 4
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1494.238437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.238437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.238437 (E_RNA)
where:
Base-Base interactions energy: -1045.455
where: short stacking energy: -428.589
Base-Backbone interact. energy: -1.765
local terms energy: -447.018904
where:
bonds (distance) C4'-P energy: -90.955
bonds (distance) P-C4' energy: -89.438
flat angles C4'-P-C4' energy: -102.295
flat angles P-C4'-P energy: -57.791
tors. eta vs tors. theta energy: -106.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1381.947758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.947758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.947758 (E_RNA)
where:
Base-Base interactions energy: -937.655
where: short stacking energy: -392.285
Base-Backbone interact. energy: 0.854
local terms energy: -445.146153
where:
bonds (distance) C4'-P energy: -77.625
bonds (distance) P-C4' energy: -89.907
flat angles C4'-P-C4' energy: -95.698
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -113.338
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: 494
Temperature: 1.250000
Total energy: -1306.259533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.259533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.259533 (E_RNA)
where:
Base-Base interactions energy: -901.350
where: short stacking energy: -380.179
Base-Backbone interact. energy: -0.021
local terms energy: -404.887925
where:
bonds (distance) C4'-P energy: -77.103
bonds (distance) P-C4' energy: -88.311
flat angles C4'-P-C4' energy: -86.040
flat angles P-C4'-P energy: -58.813
tors. eta vs tors. theta energy: -94.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -881.209387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.209387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.209387 (E_RNA)
where:
Base-Base interactions energy: -554.618
where: short stacking energy: -264.887
Base-Backbone interact. energy: 2.282
local terms energy: -328.873602
where:
bonds (distance) C4'-P energy: -92.577
bonds (distance) P-C4' energy: -78.288
flat angles C4'-P-C4' energy: -73.733
flat angles P-C4'-P energy: -39.198
tors. eta vs tors. theta energy: -45.077
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: 494
Temperature: 1.350000
Total energy: -650.357564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.357564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.357564 (E_RNA)
where:
Base-Base interactions energy: -378.845
where: short stacking energy: -213.120
Base-Backbone interact. energy: 2.457
local terms energy: -273.969244
where:
bonds (distance) C4'-P energy: -80.660
bonds (distance) P-C4' energy: -70.832
flat angles C4'-P-C4' energy: -89.503
flat angles P-C4'-P energy: -23.239
tors. eta vs tors. theta energy: -9.735
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: 495
Temperature: 0.900000
Total energy: -1841.045548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.045548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.045548 (E_RNA)
where:
Base-Base interactions energy: -1294.249
where: short stacking energy: -505.411
Base-Backbone interact. energy: -2.020
local terms energy: -544.776541
where:
bonds (distance) C4'-P energy: -95.103
bonds (distance) P-C4' energy: -112.663
flat angles C4'-P-C4' energy: -115.112
flat angles P-C4'-P energy: -85.695
tors. eta vs tors. theta energy: -136.205
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: 2, replica: 6
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1787.814134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.814134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.814134 (E_RNA)
where:
Base-Base interactions energy: -1255.961
where: short stacking energy: -509.093
Base-Backbone interact. energy: 3.057
local terms energy: -534.910421
where:
bonds (distance) C4'-P energy: -97.115
bonds (distance) P-C4' energy: -96.182
flat angles C4'-P-C4' energy: -111.696
flat angles P-C4'-P energy: -79.817
tors. eta vs tors. theta energy: -150.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1708.390792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.390792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.390792 (E_RNA)
where:
Base-Base interactions energy: -1200.951
where: short stacking energy: -456.045
Base-Backbone interact. energy: -4.346
local terms energy: -503.093875
where:
bonds (distance) C4'-P energy: -95.347
bonds (distance) P-C4' energy: -98.564
flat angles C4'-P-C4' energy: -108.431
flat angles P-C4'-P energy: -80.216
tors. eta vs tors. theta energy: -120.535
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: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1652.524540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.524540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.524540 (E_RNA)
where:
Base-Base interactions energy: -1161.099
where: short stacking energy: -507.547
Base-Backbone interact. energy: 0.415
local terms energy: -491.841240
where:
bonds (distance) C4'-P energy: -90.421
bonds (distance) P-C4' energy: -102.035
flat angles C4'-P-C4' energy: -101.271
flat angles P-C4'-P energy: -70.297
tors. eta vs tors. theta energy: -127.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1521.366311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.366311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.366311 (E_RNA)
where:
Base-Base interactions energy: -1049.465
where: short stacking energy: -434.804
Base-Backbone interact. energy: -2.660
local terms energy: -469.240449
where:
bonds (distance) C4'-P energy: -93.459
bonds (distance) P-C4' energy: -94.584
flat angles C4'-P-C4' energy: -101.343
flat angles P-C4'-P energy: -65.852
tors. eta vs tors. theta energy: -114.002
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: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1460.856745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.856745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.856745 (E_RNA)
where:
Base-Base interactions energy: -1033.365
where: short stacking energy: -419.757
Base-Backbone interact. energy: 2.916
local terms energy: -430.407419
where:
bonds (distance) C4'-P energy: -77.222
bonds (distance) P-C4' energy: -88.894
flat angles C4'-P-C4' energy: -101.814
flat angles P-C4'-P energy: -59.952
tors. eta vs tors. theta energy: -102.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1423.672787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.672787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.672787 (E_RNA)
where:
Base-Base interactions energy: -982.250
where: short stacking energy: -412.478
Base-Backbone interact. energy: -0.652
local terms energy: -440.770885
where:
bonds (distance) C4'-P energy: -95.104
bonds (distance) P-C4' energy: -87.805
flat angles C4'-P-C4' energy: -93.889
flat angles P-C4'-P energy: -65.687
tors. eta vs tors. theta energy: -98.286
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: 8, replica: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1210.885488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.885488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.885488 (E_RNA)
where:
Base-Base interactions energy: -811.972
where: short stacking energy: -352.304
Base-Backbone interact. energy: -0.369
local terms energy: -398.544606
where:
bonds (distance) C4'-P energy: -87.467
bonds (distance) P-C4' energy: -84.433
flat angles C4'-P-C4' energy: -80.659
flat angles P-C4'-P energy: -71.362
tors. eta vs tors. theta energy: -74.624
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: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -947.205623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.205623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.205623 (E_RNA)
where:
Base-Base interactions energy: -607.345
where: short stacking energy: -271.101
Base-Backbone interact. energy: 0.799
local terms energy: -340.658980
where:
bonds (distance) C4'-P energy: -86.330
bonds (distance) P-C4' energy: -93.989
flat angles C4'-P-C4' energy: -72.268
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -46.969
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: 8
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -707.098215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.098215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.098215 (E_RNA)
where:
Base-Base interactions energy: -381.927
where: short stacking energy: -213.233
Base-Backbone interact. energy: -0.303
local terms energy: -324.868392
where:
bonds (distance) C4'-P energy: -82.901
bonds (distance) P-C4' energy: -83.203
flat angles C4'-P-C4' energy: -77.276
flat angles P-C4'-P energy: -48.334
tors. eta vs tors. theta energy: -33.154
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: 496
Temperature: 0.900000
Total energy: -1848.070339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.070339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.070339 (E_RNA)
where:
Base-Base interactions energy: -1303.599
where: short stacking energy: -502.465
Base-Backbone interact. energy: -5.256
local terms energy: -539.214771
where:
bonds (distance) C4'-P energy: -97.617
bonds (distance) P-C4' energy: -100.037
flat angles C4'-P-C4' energy: -117.570
flat angles P-C4'-P energy: -93.415
tors. eta vs tors. theta energy: -130.577
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: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1783.410084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.410084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.410084 (E_RNA)
where:
Base-Base interactions energy: -1245.104
where: short stacking energy: -500.404
Base-Backbone interact. energy: -3.807
local terms energy: -534.499285
where:
bonds (distance) C4'-P energy: -93.975
bonds (distance) P-C4' energy: -99.853
flat angles C4'-P-C4' energy: -122.930
flat angles P-C4'-P energy: -76.279
tors. eta vs tors. theta energy: -141.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1686.504153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.504153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.504153 (E_RNA)
where:
Base-Base interactions energy: -1166.560
where: short stacking energy: -488.211
Base-Backbone interact. energy: -3.058
local terms energy: -516.885984
where:
bonds (distance) C4'-P energy: -94.657
bonds (distance) P-C4' energy: -111.510
flat angles C4'-P-C4' energy: -109.013
flat angles P-C4'-P energy: -71.507
tors. eta vs tors. theta energy: -130.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1639.894159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.894159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.894159 (E_RNA)
where:
Base-Base interactions energy: -1135.884
where: short stacking energy: -481.265
Base-Backbone interact. energy: -2.492
local terms energy: -501.517535
where:
bonds (distance) C4'-P energy: -90.214
bonds (distance) P-C4' energy: -106.034
flat angles C4'-P-C4' energy: -111.821
flat angles P-C4'-P energy: -69.355
tors. eta vs tors. theta energy: -124.093
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: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1548.928123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.928123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.928123 (E_RNA)
where:
Base-Base interactions energy: -1041.915
where: short stacking energy: -458.031
Base-Backbone interact. energy: -2.029
local terms energy: -504.983261
where:
bonds (distance) C4'-P energy: -96.564
bonds (distance) P-C4' energy: -97.363
flat angles C4'-P-C4' energy: -99.598
flat angles P-C4'-P energy: -75.115
tors. eta vs tors. theta energy: -136.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1528.164985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.164985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.164985 (E_RNA)
where:
Base-Base interactions energy: -1080.603
where: short stacking energy: -448.339
Base-Backbone interact. energy: -3.276
local terms energy: -444.285794
where:
bonds (distance) C4'-P energy: -79.165
bonds (distance) P-C4' energy: -94.920
flat angles C4'-P-C4' energy: -95.375
flat angles P-C4'-P energy: -62.226
tors. eta vs tors. theta energy: -112.600
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: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1426.065974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.065974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.065974 (E_RNA)
where:
Base-Base interactions energy: -985.916
where: short stacking energy: -401.074
Base-Backbone interact. energy: 0.968
local terms energy: -441.118092
where:
bonds (distance) C4'-P energy: -80.011
bonds (distance) P-C4' energy: -104.174
flat angles C4'-P-C4' energy: -104.119
flat angles P-C4'-P energy: -48.685
tors. eta vs tors. theta energy: -104.129
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: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1249.559210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.559210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.559210 (E_RNA)
where:
Base-Base interactions energy: -840.010
where: short stacking energy: -399.114
Base-Backbone interact. energy: -1.100
local terms energy: -408.449850
where:
bonds (distance) C4'-P energy: -85.251
bonds (distance) P-C4' energy: -85.177
flat angles C4'-P-C4' energy: -104.064
flat angles P-C4'-P energy: -48.117
tors. eta vs tors. theta energy: -85.842
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: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -861.740805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.740805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.740805 (E_RNA)
where:
Base-Base interactions energy: -533.584
where: short stacking energy: -259.367
Base-Backbone interact. energy: 5.178
local terms energy: -333.334781
where:
bonds (distance) C4'-P energy: -77.833
bonds (distance) P-C4' energy: -78.078
flat angles C4'-P-C4' energy: -84.225
flat angles P-C4'-P energy: -57.755
tors. eta vs tors. theta energy: -35.443
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: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -644.817723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.817723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.817723 (E_RNA)
where:
Base-Base interactions energy: -353.028
where: short stacking energy: -186.488
Base-Backbone interact. energy: -1.496
local terms energy: -290.293121
where:
bonds (distance) C4'-P energy: -72.346
bonds (distance) P-C4' energy: -78.947
flat angles C4'-P-C4' energy: -78.064
flat angles P-C4'-P energy: -47.675
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1814.754700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.754700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.754700 (E_RNA)
where:
Base-Base interactions energy: -1298.874
where: short stacking energy: -521.550
Base-Backbone interact. energy: 0.119
local terms energy: -515.999939
where:
bonds (distance) C4'-P energy: -96.472
bonds (distance) P-C4' energy: -86.272
flat angles C4'-P-C4' energy: -127.394
flat angles P-C4'-P energy: -76.798
tors. eta vs tors. theta energy: -129.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1782.172501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.172501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.172501 (E_RNA)
where:
Base-Base interactions energy: -1252.372
where: short stacking energy: -499.367
Base-Backbone interact. energy: 3.295
local terms energy: -533.095617
where:
bonds (distance) C4'-P energy: -109.266
bonds (distance) P-C4' energy: -95.660
flat angles C4'-P-C4' energy: -108.202
flat angles P-C4'-P energy: -82.399
tors. eta vs tors. theta energy: -137.570
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: 497
Temperature: 1.000000
Total energy: -1741.998326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.998326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.998326 (E_RNA)
where:
Base-Base interactions energy: -1214.483
where: short stacking energy: -513.354
Base-Backbone interact. energy: -1.461
local terms energy: -526.053975
where:
bonds (distance) C4'-P energy: -99.176
bonds (distance) P-C4' energy: -95.712
flat angles C4'-P-C4' energy: -110.262
flat angles P-C4'-P energy: -80.865
tors. eta vs tors. theta energy: -140.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1624.386070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.386070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.386070 (E_RNA)
where:
Base-Base interactions energy: -1131.282
where: short stacking energy: -467.103
Base-Backbone interact. energy: 0.214
local terms energy: -493.317726
where:
bonds (distance) C4'-P energy: -102.928
bonds (distance) P-C4' energy: -103.144
flat angles C4'-P-C4' energy: -104.532
flat angles P-C4'-P energy: -60.809
tors. eta vs tors. theta energy: -121.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1510.570275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.570275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.570275 (E_RNA)
where:
Base-Base interactions energy: -1038.954
where: short stacking energy: -442.249
Base-Backbone interact. energy: -1.071
local terms energy: -470.545031
where:
bonds (distance) C4'-P energy: -94.909
bonds (distance) P-C4' energy: -89.603
flat angles C4'-P-C4' energy: -106.347
flat angles P-C4'-P energy: -62.923
tors. eta vs tors. theta energy: -116.764
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: 497
Temperature: 1.150000
Total energy: -1501.523192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.523192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.523192 (E_RNA)
where:
Base-Base interactions energy: -1039.513
where: short stacking energy: -417.236
Base-Backbone interact. energy: -2.470
local terms energy: -459.540412
where:
bonds (distance) C4'-P energy: -87.050
bonds (distance) P-C4' energy: -92.450
flat angles C4'-P-C4' energy: -104.783
flat angles P-C4'-P energy: -71.095
tors. eta vs tors. theta energy: -104.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1412.862110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.862110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.862110 (E_RNA)
where:
Base-Base interactions energy: -984.126
where: short stacking energy: -411.291
Base-Backbone interact. energy: -0.837
local terms energy: -427.899129
where:
bonds (distance) C4'-P energy: -81.166
bonds (distance) P-C4' energy: -80.259
flat angles C4'-P-C4' energy: -95.277
flat angles P-C4'-P energy: -57.313
tors. eta vs tors. theta energy: -113.885
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: 8, replica: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1276.463901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.463901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.463901 (E_RNA)
where:
Base-Base interactions energy: -881.351
where: short stacking energy: -373.677
Base-Backbone interact. energy: -3.401
local terms energy: -391.711928
where:
bonds (distance) C4'-P energy: -80.927
bonds (distance) P-C4' energy: -69.281
flat angles C4'-P-C4' energy: -99.781
flat angles P-C4'-P energy: -53.995
tors. eta vs tors. theta energy: -87.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -863.270138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.270138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.270138 (E_RNA)
where:
Base-Base interactions energy: -524.892
where: short stacking energy: -247.554
Base-Backbone interact. energy: -1.262
local terms energy: -337.116150
where:
bonds (distance) C4'-P energy: -75.220
bonds (distance) P-C4' energy: -96.635
flat angles C4'-P-C4' energy: -87.548
flat angles P-C4'-P energy: -42.980
tors. eta vs tors. theta energy: -34.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -650.054934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.054934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.054934 (E_RNA)
where:
Base-Base interactions energy: -326.569
where: short stacking energy: -175.090
Base-Backbone interact. energy: -1.227
local terms energy: -322.259222
where:
bonds (distance) C4'-P energy: -94.119
bonds (distance) P-C4' energy: -85.652
flat angles C4'-P-C4' energy: -79.358
flat angles P-C4'-P energy: -52.950
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1839.131651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.131651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.131651 (E_RNA)
where:
Base-Base interactions energy: -1297.528
where: short stacking energy: -521.848
Base-Backbone interact. energy: 1.497
local terms energy: -543.100490
where:
bonds (distance) C4'-P energy: -103.629
bonds (distance) P-C4' energy: -105.842
flat angles C4'-P-C4' energy: -116.055
flat angles P-C4'-P energy: -82.433
tors. eta vs tors. theta energy: -135.141
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: 2, replica: 6
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1821.104617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.104617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.104617 (E_RNA)
where:
Base-Base interactions energy: -1298.713
where: short stacking energy: -523.371
Base-Backbone interact. energy: -4.060
local terms energy: -518.331809
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -88.226
flat angles C4'-P-C4' energy: -118.801
flat angles P-C4'-P energy: -71.662
tors. eta vs tors. theta energy: -145.552
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: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1692.903870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.903870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.903870 (E_RNA)
where:
Base-Base interactions energy: -1195.841
where: short stacking energy: -481.094
Base-Backbone interact. energy: 1.856
local terms energy: -498.918552
where:
bonds (distance) C4'-P energy: -86.850
bonds (distance) P-C4' energy: -88.708
flat angles C4'-P-C4' energy: -111.494
flat angles P-C4'-P energy: -76.407
tors. eta vs tors. theta energy: -135.460
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: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1631.389948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.389948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.389948 (E_RNA)
where:
Base-Base interactions energy: -1156.215
where: short stacking energy: -464.828
Base-Backbone interact. energy: -2.647
local terms energy: -472.528041
where:
bonds (distance) C4'-P energy: -89.085
bonds (distance) P-C4' energy: -91.690
flat angles C4'-P-C4' energy: -105.733
flat angles P-C4'-P energy: -77.627
tors. eta vs tors. theta energy: -108.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1543.864267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.864267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.864267 (E_RNA)
where:
Base-Base interactions energy: -1113.957
where: short stacking energy: -459.726
Base-Backbone interact. energy: 1.405
local terms energy: -431.312549
where:
bonds (distance) C4'-P energy: -98.812
bonds (distance) P-C4' energy: -80.016
flat angles C4'-P-C4' energy: -93.448
flat angles P-C4'-P energy: -52.014
tors. eta vs tors. theta energy: -107.022
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: 498
Temperature: 1.150000
Total energy: -1467.016248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.016248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.016248 (E_RNA)
where:
Base-Base interactions energy: -1041.096
where: short stacking energy: -412.283
Base-Backbone interact. energy: -1.787
local terms energy: -424.133725
where:
bonds (distance) C4'-P energy: -70.869
bonds (distance) P-C4' energy: -86.386
flat angles C4'-P-C4' energy: -97.216
flat angles P-C4'-P energy: -68.931
tors. eta vs tors. theta energy: -100.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1403.782234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.782234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.782234 (E_RNA)
where:
Base-Base interactions energy: -970.323
where: short stacking energy: -405.259
Base-Backbone interact. energy: 1.471
local terms energy: -434.930589
where:
bonds (distance) C4'-P energy: -80.056
bonds (distance) P-C4' energy: -81.155
flat angles C4'-P-C4' energy: -94.788
flat angles P-C4'-P energy: -66.233
tors. eta vs tors. theta energy: -112.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1287.052580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.052580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.052580 (E_RNA)
where:
Base-Base interactions energy: -896.972
where: short stacking energy: -392.583
Base-Backbone interact. energy: -3.043
local terms energy: -387.037565
where:
bonds (distance) C4'-P energy: -83.751
bonds (distance) P-C4' energy: -57.811
flat angles C4'-P-C4' energy: -93.368
flat angles P-C4'-P energy: -49.285
tors. eta vs tors. theta energy: -102.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -830.158780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.158780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.158780 (E_RNA)
where:
Base-Base interactions energy: -500.189
where: short stacking energy: -255.276
Base-Backbone interact. energy: -2.321
local terms energy: -327.648906
where:
bonds (distance) C4'-P energy: -99.639
bonds (distance) P-C4' energy: -52.812
flat angles C4'-P-C4' energy: -97.237
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -33.894
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: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -603.510936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.510936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.510936 (E_RNA)
where:
Base-Base interactions energy: -314.586
where: short stacking energy: -178.542
Base-Backbone interact. energy: 5.499
local terms energy: -294.423489
where:
bonds (distance) C4'-P energy: -63.017
bonds (distance) P-C4' energy: -91.319
flat angles C4'-P-C4' energy: -82.130
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -13.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1850.472952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.472952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.472952 (E_RNA)
where:
Base-Base interactions energy: -1311.769
where: short stacking energy: -514.569
Base-Backbone interact. energy: -1.391
local terms energy: -537.312483
where:
bonds (distance) C4'-P energy: -100.501
bonds (distance) P-C4' energy: -101.085
flat angles C4'-P-C4' energy: -119.982
flat angles P-C4'-P energy: -82.355
tors. eta vs tors. theta energy: -133.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1823.619192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.619192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.619192 (E_RNA)
where:
Base-Base interactions energy: -1295.134
where: short stacking energy: -514.434
Base-Backbone interact. energy: -3.765
local terms energy: -524.720484
where:
bonds (distance) C4'-P energy: -91.749
bonds (distance) P-C4' energy: -104.391
flat angles C4'-P-C4' energy: -110.612
flat angles P-C4'-P energy: -73.184
tors. eta vs tors. theta energy: -144.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1696.001426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.001426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.001426 (E_RNA)
where:
Base-Base interactions energy: -1200.306
where: short stacking energy: -506.995
Base-Backbone interact. energy: -0.595
local terms energy: -495.099613
where:
bonds (distance) C4'-P energy: -85.671
bonds (distance) P-C4' energy: -89.959
flat angles C4'-P-C4' energy: -108.392
flat angles P-C4'-P energy: -78.466
tors. eta vs tors. theta energy: -132.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1603.616981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.616981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.616981 (E_RNA)
where:
Base-Base interactions energy: -1118.153
where: short stacking energy: -485.529
Base-Backbone interact. energy: 1.681
local terms energy: -487.144950
where:
bonds (distance) C4'-P energy: -81.747
bonds (distance) P-C4' energy: -99.385
flat angles C4'-P-C4' energy: -102.652
flat angles P-C4'-P energy: -74.242
tors. eta vs tors. theta energy: -129.118
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: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1513.880060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.880060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.880060 (E_RNA)
where:
Base-Base interactions energy: -1054.953
where: short stacking energy: -434.093
Base-Backbone interact. energy: -1.917
local terms energy: -457.009816
where:
bonds (distance) C4'-P energy: -86.758
bonds (distance) P-C4' energy: -97.039
flat angles C4'-P-C4' energy: -110.480
flat angles P-C4'-P energy: -56.563
tors. eta vs tors. theta energy: -106.170
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: 499
Temperature: 1.150000
Total energy: -1480.953614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.953614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.953614 (E_RNA)
where:
Base-Base interactions energy: -1044.435
where: short stacking energy: -438.055
Base-Backbone interact. energy: -1.619
local terms energy: -434.898909
where:
bonds (distance) C4'-P energy: -70.073
bonds (distance) P-C4' energy: -80.992
flat angles C4'-P-C4' energy: -104.840
flat angles P-C4'-P energy: -68.495
tors. eta vs tors. theta energy: -110.500
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: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1362.449187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.449187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.449187 (E_RNA)
where:
Base-Base interactions energy: -920.703
where: short stacking energy: -407.157
Base-Backbone interact. energy: -0.180
local terms energy: -441.566103
where:
bonds (distance) C4'-P energy: -82.921
bonds (distance) P-C4' energy: -84.055
flat angles C4'-P-C4' energy: -107.777
flat angles P-C4'-P energy: -64.472
tors. eta vs tors. theta energy: -102.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1296.503530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.503530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.503530 (E_RNA)
where:
Base-Base interactions energy: -873.333
where: short stacking energy: -373.943
Base-Backbone interact. energy: 0.331
local terms energy: -423.501861
where:
bonds (distance) C4'-P energy: -87.503
bonds (distance) P-C4' energy: -82.808
flat angles C4'-P-C4' energy: -95.094
flat angles P-C4'-P energy: -59.013
tors. eta vs tors. theta energy: -99.084
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: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -818.566149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.566149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.566149 (E_RNA)
where:
Base-Base interactions energy: -505.099
where: short stacking energy: -249.878
Base-Backbone interact. energy: 0.229
local terms energy: -313.695835
where:
bonds (distance) C4'-P energy: -75.745
bonds (distance) P-C4' energy: -93.152
flat angles C4'-P-C4' energy: -76.997
flat angles P-C4'-P energy: -30.143
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: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -672.944838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.944838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.944838 (E_RNA)
where:
Base-Base interactions energy: -384.869
where: short stacking energy: -195.202
Base-Backbone interact. energy: 5.142
local terms energy: -293.217439
where:
bonds (distance) C4'-P energy: -77.116
bonds (distance) P-C4' energy: -82.052
flat angles C4'-P-C4' energy: -73.589
flat angles P-C4'-P energy: -47.414
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1827.304491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.304491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.304491 (E_RNA)
where:
Base-Base interactions energy: -1280.473
where: short stacking energy: -513.659
Base-Backbone interact. energy: -1.867
local terms energy: -544.964658
where:
bonds (distance) C4'-P energy: -100.767
bonds (distance) P-C4' energy: -106.743
flat angles C4'-P-C4' energy: -118.384
flat angles P-C4'-P energy: -87.668
tors. eta vs tors. theta energy: -131.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1831.838841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.838841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.838841 (E_RNA)
where:
Base-Base interactions energy: -1284.589
where: short stacking energy: -517.038
Base-Backbone interact. energy: -2.260
local terms energy: -544.990102
where:
bonds (distance) C4'-P energy: -100.344
bonds (distance) P-C4' energy: -102.528
flat angles C4'-P-C4' energy: -117.676
flat angles P-C4'-P energy: -75.213
tors. eta vs tors. theta energy: -149.229
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: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1680.674734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.674734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.674734 (E_RNA)
where:
Base-Base interactions energy: -1189.573
where: short stacking energy: -472.649
Base-Backbone interact. energy: -4.151
local terms energy: -486.950966
where:
bonds (distance) C4'-P energy: -90.803
bonds (distance) P-C4' energy: -87.352
flat angles C4'-P-C4' energy: -106.332
flat angles P-C4'-P energy: -73.347
tors. eta vs tors. theta energy: -129.117
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: 4, replica: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1571.320312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.320312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.320312 (E_RNA)
where:
Base-Base interactions energy: -1091.030
where: short stacking energy: -452.673
Base-Backbone interact. energy: -1.307
local terms energy: -478.983458
where:
bonds (distance) C4'-P energy: -86.233
bonds (distance) P-C4' energy: -90.877
flat angles C4'-P-C4' energy: -117.553
flat angles P-C4'-P energy: -63.720
tors. eta vs tors. theta energy: -120.601
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: 500
Temperature: 1.100000
Total energy: -1516.778754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.778754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.778754 (E_RNA)
where:
Base-Base interactions energy: -1072.962
where: short stacking energy: -444.889
Base-Backbone interact. energy: -0.948
local terms energy: -442.869279
where:
bonds (distance) C4'-P energy: -79.339
bonds (distance) P-C4' energy: -85.938
flat angles C4'-P-C4' energy: -102.687
flat angles P-C4'-P energy: -58.793
tors. eta vs tors. theta energy: -116.112
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: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1505.755996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.755996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.755996 (E_RNA)
where:
Base-Base interactions energy: -1044.100
where: short stacking energy: -429.900
Base-Backbone interact. energy: 0.344
local terms energy: -462.000022
where:
bonds (distance) C4'-P energy: -85.834
bonds (distance) P-C4' energy: -92.711
flat angles C4'-P-C4' energy: -102.233
flat angles P-C4'-P energy: -74.676
tors. eta vs tors. theta energy: -106.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1412.079030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.079030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.079030 (E_RNA)
where:
Base-Base interactions energy: -943.898
where: short stacking energy: -419.548
Base-Backbone interact. energy: -0.058
local terms energy: -468.122867
where:
bonds (distance) C4'-P energy: -87.645
bonds (distance) P-C4' energy: -98.696
flat angles C4'-P-C4' energy: -92.863
flat angles P-C4'-P energy: -76.575
tors. eta vs tors. theta energy: -112.343
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: 8, replica: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1263.097946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.097946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.097946 (E_RNA)
where:
Base-Base interactions energy: -863.822
where: short stacking energy: -368.541
Base-Backbone interact. energy: -0.687
local terms energy: -398.588390
where:
bonds (distance) C4'-P energy: -97.332
bonds (distance) P-C4' energy: -75.268
flat angles C4'-P-C4' energy: -94.546
flat angles P-C4'-P energy: -50.721
tors. eta vs tors. theta energy: -80.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -812.750791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.750791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.750791 (E_RNA)
where:
Base-Base interactions energy: -504.380
where: short stacking energy: -234.082
Base-Backbone interact. energy: -1.921
local terms energy: -306.450675
where:
bonds (distance) C4'-P energy: -59.374
bonds (distance) P-C4' energy: -79.760
flat angles C4'-P-C4' energy: -84.559
flat angles P-C4'-P energy: -46.962
tors. eta vs tors. theta energy: -35.795
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: 10, replica: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -638.526020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.526020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.526020 (E_RNA)
where:
Base-Base interactions energy: -357.824
where: short stacking energy: -194.700
Base-Backbone interact. energy: -1.655
local terms energy: -279.047090
where:
bonds (distance) C4'-P energy: -71.376
bonds (distance) P-C4' energy: -76.219
flat angles C4'-P-C4' energy: -82.359
flat angles P-C4'-P energy: -41.030
tors. eta vs tors. theta energy: -8.064
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: 5
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1840.078666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.078666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.078666 (E_RNA)
where:
Base-Base interactions energy: -1305.836
where: short stacking energy: -520.646
Base-Backbone interact. energy: 0.402
local terms energy: -534.645081
where:
bonds (distance) C4'-P energy: -100.068
bonds (distance) P-C4' energy: -103.109
flat angles C4'-P-C4' energy: -117.561
flat angles P-C4'-P energy: -76.154
tors. eta vs tors. theta energy: -137.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1822.880091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.880091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.880091 (E_RNA)
where:
Base-Base interactions energy: -1286.493
where: short stacking energy: -504.820
Base-Backbone interact. energy: -5.316
local terms energy: -531.071275
where:
bonds (distance) C4'-P energy: -98.056
bonds (distance) P-C4' energy: -108.188
flat angles C4'-P-C4' energy: -110.084
flat angles P-C4'-P energy: -72.868
tors. eta vs tors. theta energy: -141.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1687.295413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.295413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.295413 (E_RNA)
where:
Base-Base interactions energy: -1193.784
where: short stacking energy: -462.575
Base-Backbone interact. energy: -1.159
local terms energy: -492.352366
where:
bonds (distance) C4'-P energy: -93.598
bonds (distance) P-C4' energy: -91.604
flat angles C4'-P-C4' energy: -106.000
flat angles P-C4'-P energy: -75.782
tors. eta vs tors. theta energy: -125.368
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: 9
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1580.697843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.697843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.697843 (E_RNA)
where:
Base-Base interactions energy: -1107.992
where: short stacking energy: -452.436
Base-Backbone interact. energy: -3.298
local terms energy: -469.407859
where:
bonds (distance) C4'-P energy: -94.782
bonds (distance) P-C4' energy: -91.358
flat angles C4'-P-C4' energy: -102.672
flat angles P-C4'-P energy: -67.921
tors. eta vs tors. theta energy: -112.675
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: 5, replica: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1506.155083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.155083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.155083 (E_RNA)
where:
Base-Base interactions energy: -1034.557
where: short stacking energy: -434.018
Base-Backbone interact. energy: 1.658
local terms energy: -473.256749
where:
bonds (distance) C4'-P energy: -90.351
bonds (distance) P-C4' energy: -90.312
flat angles C4'-P-C4' energy: -104.522
flat angles P-C4'-P energy: -74.477
tors. eta vs tors. theta energy: -113.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1539.468787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.468787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.468787 (E_RNA)
where:
Base-Base interactions energy: -1070.153
where: short stacking energy: -442.036
Base-Backbone interact. energy: -1.819
local terms energy: -467.496447
where:
bonds (distance) C4'-P energy: -79.694
bonds (distance) P-C4' energy: -106.575
flat angles C4'-P-C4' energy: -97.209
flat angles P-C4'-P energy: -68.097
tors. eta vs tors. theta energy: -115.921
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: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1413.253001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.253001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.253001 (E_RNA)
where:
Base-Base interactions energy: -970.284
where: short stacking energy: -406.274
Base-Backbone interact. energy: -1.150
local terms energy: -441.818403
where:
bonds (distance) C4'-P energy: -80.080
bonds (distance) P-C4' energy: -88.450
flat angles C4'-P-C4' energy: -101.024
flat angles P-C4'-P energy: -67.372
tors. eta vs tors. theta energy: -104.893
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: 3
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1246.884356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.884356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.884356 (E_RNA)
where:
Base-Base interactions energy: -850.598
where: short stacking energy: -383.490
Base-Backbone interact. energy: -2.538
local terms energy: -393.748133
where:
bonds (distance) C4'-P energy: -75.345
bonds (distance) P-C4' energy: -78.564
flat angles C4'-P-C4' energy: -100.707
flat angles P-C4'-P energy: -52.513
tors. eta vs tors. theta energy: -86.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -835.187452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.187452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.187452 (E_RNA)
where:
Base-Base interactions energy: -475.470
where: short stacking energy: -226.676
Base-Backbone interact. energy: -0.916
local terms energy: -358.801744
where:
bonds (distance) C4'-P energy: -87.348
bonds (distance) P-C4' energy: -100.020
flat angles C4'-P-C4' energy: -79.837
flat angles P-C4'-P energy: -54.358
tors. eta vs tors. theta energy: -37.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -639.200310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.200310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.200310 (E_RNA)
where:
Base-Base interactions energy: -343.505
where: short stacking energy: -157.143
Base-Backbone interact. energy: 0.632
local terms energy: -296.327006
where:
bonds (distance) C4'-P energy: -77.641
bonds (distance) P-C4' energy: -92.118
flat angles C4'-P-C4' energy: -80.146
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -2.460
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)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 84417183
moves confirmed later: 92568564
all moves confirmed: 176985747
percent of confirmed moves: 22.123218
current total energy: -1690.298752
recalc. total energy: -1690.298752
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 84835902
moves confirmed later: 93397592
all moves confirmed: 178233494
percent of confirmed moves: 22.279187
current total energy: -1696.269586
recalc. total energy: -1696.269586
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 71797184
moves confirmed later: 76968412
all moves confirmed: 148765596
percent of confirmed moves: 18.595699
current total energy: -1594.959414
recalc. total energy: -1594.959414
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 89540653
moves confirmed later: 99573568
all moves confirmed: 189114221
percent of confirmed moves: 23.639278
current total energy: -1448.408027
recalc. total energy: -1448.408027
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 85305259
moves confirmed later: 93971460
all moves confirmed: 179276719
percent of confirmed moves: 22.409590
current total energy: -1472.178361
recalc. total energy: -1472.178361
replica 1 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 87894264
moves confirmed later: 97107396
all moves confirmed: 185001660
percent of confirmed moves: 23.125207
current total energy: -1409.454155
recalc. total energy: -1409.454155
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 102765892
moves confirmed later: 116264785
all moves confirmed: 219030677
percent of confirmed moves: 27.378835
current total energy: -1293.352853
recalc. total energy: -1293.352853
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 108715678
moves confirmed later: 123922957
all moves confirmed: 232638635
percent of confirmed moves: 29.079829
current total energy: -1046.745945
recalc. total energy: -1046.745945
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 146769317
moves confirmed later: 173490332
all moves confirmed: 320259649
percent of confirmed moves: 40.032456
current total energy: -714.427181
recalc. total energy: -714.427181
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 178767847
moves confirmed later: 214296050
all moves confirmed: 393063897
percent of confirmed moves: 49.132987
current total energy: -445.218571
recalc. total energy: -445.218571
out arg RESULTS//1/Denv3_dominio2_SimRN-5b3226aa_01
Time of doing 8000000 iterations: 36932.618 seconds